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Part Number: Aspen Physical Property System 11.

1 September 2001
Copyright (c) 1981-2001 by Aspen Technology, Inc. All rights reserved. Aspen Plus, Aspen Properties, Aspen Engineering Suite, AspenTech, ModelManager, the aspen leaf logo and Plantelligence are trademarks or registered trademarks of Aspen Technology, Inc., Cambridge, MA. BATCHFRAC and RATEFRAC are trademarks of Koch Engineering Company, Inc. All other brand and product names are trademarks or registered trademarks of their respective companies. This manual is intended as a guide to using AspenTechs software. This documentation contains AspenTech proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of AspenTech or as set forth in the applicable license agreement. Users are solely responsible for the proper use of the software and the application of the results obtained. Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software may be found in the applicable license agreement between AspenTech and the user. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH RESPECT TO THIS DOCUMENTATION, ITS QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE.

Corporate
Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (1) (617) 949-1021 Toll Free: (1) (888) 996-7001 Fax: (1) (617) 949-1724 URL: http://www.aspentech.com

Division
Design, Simulation and Optimization Systems Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (617) 949-1000 Fax: (617) 949-1030

Contents
For More Information.......................................................................................................viii Technical Support.............................................................................................................viii Contacting Customer Support ................................................................................ix Hours ......................................................................................................................ix Phone ......................................................................................................................ix Fax ...........................................................................................................................x E-mail ......................................................................................................................x Databanks 1-1

Overview ..........................................................................................................................1-1 Aspen Physical Property System Databanks ....................................................................1-1 Using DFMS to Manage Databanks.................................................................................1-4 DFMS Input Language Conventions....................................................................1-6 DFMS Primary Keywords ....................................................................................1-7 Databanks Available in the Aspen Physical Property System .......................................1-15 AQUEOUS Databank.........................................................................................1-15 AQU92 Databank ...............................................................................................1-16 ASPENPCD Databank........................................................................................1-16 INORGANIC Databank .....................................................................................1-16 PURE11 Databank..............................................................................................1-17 PURE10 Databank..............................................................................................1-18 PURE856 Databank............................................................................................1-18 PURE93 Databank..............................................................................................1-18 SOLIDS Databank..............................................................................................1-18 COMBUST Databank.........................................................................................1-19 ETHYLENE Databank .......................................................................................1-19 Binary Parameters for Activity Coefficient Models.......................................................1-19 Binary Parameters for Vapor-Liquid Applications ............................................1-19 Binary Parameters for Liquid-Liquid Applications............................................1-20 Henrys Law Constants .......................................................................................1-20 Electrolytes Model Parameters.......................................................................................1-21 The Pitzer Parameter ..........................................................................................1-21 The Electrolyte NRTL Parameters .....................................................................1-21 Pure Component Databanks ...........................................................................................1-22 Aqueous Component Databanks ....................................................................................1-68 Combust Component Databank....................................................................................1-111
Contents iii

Physical Property Data 11.1

Ethylene Component Databank ....................................................................................1-113 Inorganic Component Databank...................................................................................1-116 Solids Component Databank ........................................................................................1-174 Electrolytes Data 2-1

Overview ..........................................................................................................................2-1 2-Amino-2-Methyl-1-Propanol with Acid Gases .............................................................2-3 Ammonia and Carbon Dioxide.........................................................................................2-4 Ammonia and Hydrogen Cyanide ....................................................................................2-5 Ammonia and Hydrogen Sulfide......................................................................................2-6 Ammonia and Phosphoric Acid........................................................................................2-7 Ammonia and Sulfur Dioxide ..........................................................................................2-8 Ammonia and Water.........................................................................................................2-8 Brine Solution with Sour Gases........................................................................................2-9 Caustic Solutions ............................................................................................................2-10 Chlorine and Water.........................................................................................................2-11 Chlorine, Hydrogen Chloride, and Sodium Hydroxide..................................................2-11 Diethanolamine with Acid Gases ...................................................................................2-13 Diglycolamine with Acid Gases .....................................................................................2-14 Flue-Gas and Water ........................................................................................................2-15 Hot Carbonate CO2 Absorption .....................................................................................2-17 Hot Carbonate with Diethanolamine ..............................................................................2-18 Hydrogen Bromide .........................................................................................................2-19 Hydrogen Chloride .........................................................................................................2-19 Hydrogen Chloride and Magnesium Chloride................................................................2-20 Hydrogen Fluoride..........................................................................................................2-21 Hydrogen Iodide and Water ...........................................................................................2-22 Methyldiethanolamine with Acid Gases.........................................................................2-22 Monoethanolamine with Acid Gases..............................................................................2-24 Nitric Acid ......................................................................................................................2-25 Potassium Hydroxide......................................................................................................2-25 Sodium Hydroxide..........................................................................................................2-26 Sodium Hydroxide and Sulfur Dioxide..........................................................................2-27 Sour Water......................................................................................................................2-28 Sour Water and Caustic ..................................................................................................2-28 Sulfuric Acid...................................................................................................................2-30 Sulfuric Acid and Hydrogen Bromide............................................................................2-30 Sulfuric Acid and Hydrogen Chloride............................................................................2-31 Group Contribution Method Functional Groups 3-1

Overview ..........................................................................................................................3-1 PCES Functional Groups..................................................................................................3-1 Table 3.1 Ambrose Method Functional Groups ..................................................3-2 Table 3.2 Benson Method Functional Groups.....................................................3-4 Table 3.2A BensonR8 Method Functional Groups ...........................................3-15 Table 3.3 Bondi Method Functional Groups .....................................................3-24
iv Contents

Physical Property Data 11.1

Table 3.3A Ducros Method Functional Groups ................................................3-26 Table 3.4 Fedors Method Functional Groups....................................................3-34 Table 3.4A Gani Method Functional Groups ....................................................3-36 Table 3.5 Joback Method Functional Groups....................................................3-42 Table 3.6 Le Bas Method Functional Groups....................................................3-44 Table 3.6A Li-Ma Method Functional Groups..................................................3-44 Table 3.7 Lydersen Method Functional Groups................................................3-48 Table 3.7A Mostafa Method Functional Groups...............................................3-50 Table 3.8 Ogata-Tsuchida Method Functional Groups .....................................3-56 Table 3.9 Orrick-Erbar Method Functional Groups ..........................................3-58 Table 3.10 Parachor Method Functional Groups...............................................3-59 Table 3.11 Reichenberg Method Functional Groups.........................................3-60 Table 3.11A Ruzicka Method Functional Groups.............................................3-61 UNIFAC Functional Groups ..........................................................................................3-67 Table 3.12 UNIFAC Method Functional Groups..............................................3-68 Table 3.13 Special UNIFAC Liquid-Liquid Functional Groups.......................3-72 Table 3.14 Vapor-Liquid Systems UNIFAC Group Interaction Parameters.....3-73 Table 3.15 Liquid-Liquid Systems UNIFAC Group Interaction Parameters....3-74 Table 3.16 Group Interaction Parameters for Lyngby Modified UNIFAC.......3-75 Table 3.17 Group Interaction Parameters for Dortmund Modified UNIFAC Model..................................................................................................................3-76 Table 3.18 Group Interaction Parameters for UNIFAC Model Revision 3.......3-77 Table 3.19 Group Interaction Parameter for UNIFAC Model Revision 4 ........3-78 Notes...............................................................................................................................3-79 Property Sets 4-1

Overview ..........................................................................................................................4-1 Table 4.1 Mixture Thermodynamic Properties.....................................................4-3 Table 4.2 Thermodynamic Properties of Components in Mixtures .....................4-5 Table 4.3 Pure Component Thermodynamic Properties ......................................4-6 Table 4.4 Electrolyte Properties ...........................................................................4-7 Table 4.5 Transport Properties .............................................................................4-8 Table 4.6 Petroleum-Related Properties for Mixtures..........................................4-9 Table 4.7 Elemental Analysis of Mixtures .........................................................4-15 Table 4.8 Nonconventional Component Properties............................................4-16 Table 4.9 Valid Properties for Substream ALL..................................................4-16 Notes...............................................................................................................................4-17

Physical Property Data 11.1

Contents v

vi Contents

Physical Property Data 11.1

About This Manual

This manual includes technical reference information and listings for all Aspen Physical Property System databanks, electrolytes data, group contribution method functional groups, and property sets. Much of this information is also available in online prompts and help. For information on property option sets, property methods, models, and parameter estimation, see Physical Property Methods and Models. An overview of the Aspen Physical Property System physical property system, and information about how to use its full range and power, is in the Aspen Plus and Aspen Properties User Guides, as well as in online help and prompts in Aspen Plus and Aspen Properties.

Physical Property Data 11.1

About This Manual vii

For More Information

The Aspen Physical Property System has a complete system of online help and context-sensitive prompts. The help system contains both context-sensitive help and reference information.
Online Help

Aspen Physical Property System reference manuals provide detailed technical reference information about the physical property calculation system supplied with Aspen Plus and Aspen Properties.
Physical Property Reference Manuals

Aspen Plus reference manuals provide background information about Aspen Plus and Aspen Properties.
Aspen Plus and Aspen Properties manuals

The manuals are delivered in Adobe portable document format (PDF).

Technical Support
World Wide Web

For additional information about AspenTech products and services, check the AspenTech World Wide Web home page on the Internet at: http://www.aspentech.com/

Technical resources AspenTech customers with a valid license and software maintenance agreement can register to access the Online Technical Support Center at http://support.aspentech.com/

This web support site allows you to: Access current product documentation Search for tech tips, solutions and frequently asked questions (FAQs) Search for and download application examples Submit and track technical issues Send suggestions Report product defects Review lists of known deficiencies and defects Registered users can also subscribe to our Technical Support eBulletins. These e-Bulletins are used to proactively alert users to important technical support information such as: Technical advisories Product updates and Service Pack announcements

viii About This Manual

Physical Property Data 11.1

Contacting Customer Support

Customer support is also available by phone, fax, and email for customers with a current support contract for this product. For the most up-to-date phone listings, please see the Online Technical Support Center at http://support.aspentech.com. The following contact information was current when this product was released:

Hours
Support Centers Operating Hours

North America South America Europe Asia and Pacific Region

8:00 20:00 Eastern Time 9:00 17:00 Local time 8:30 18:00 Central European time 9:00 17:30 Local time

Phone

Support Centers

Phone Numbers

North America South America

1-888-996-7100 1-281-584-4357 (52) (5) 536-2809 (54) (11) 4361-7220 (55) (11) 5012-0321 (0800) 333-0125 (000) (814) 550-4084 8001-2410

Toll-free from U.S., Canada, Mexico North America Support Center Mexico Support Center Argentina Support Center Brazil Support Center Toll-free to U.S. from Argentina Toll-free to U.S. from Brazil Toll-free to U.S. from Venezuela

Europe

(32) (2) 701-95-55 European Support Center Country specific toll-free numbers: Belgium (0800) 40-687 Denmark 8088-3652 Finland (0) (800) 1-19127 France (0805) 11-0054 Ireland (1) (800) 930-024 Netherlands (0800) 023-2511 Norway (800) 13817 Spain (900) 951846 Sweden (0200) 895-284 Switzerland (0800) 111-470 UK (0800) 376-7903 (65) 395-39-00 (81) (3) 3262-1743 Singapore Tokyo

Asia and Pacific Region

Physical Property Data 11.1

About This Manual ix

Fax

Support Centers

Fax Numbers

North America

1-617-949-1724 (Cambridge, MA) 1-281-584-1807 (Houston, TX: both Engineering and Manufacturing Suite) 1-281-584-5442 (Houston, TX: eSupply Chain Suite) 1-281-584-4329 (Houston, TX: Advanced Control Suite) 1-301-424-4647 (Rockville, MD) 1-908-516-9550 (New Providence, NJ) 1-425-492-2388 (Seattle, WA) (54) (11) 4361-7220 (Argentina) (55) (11) 5012-4442 (Brazil) (32) (2) 701-94-45 (65) 395-39-50 (Singapore) (81) (3) 3262-1744 (Tokyo)

South America Europe Asia and Pacific Region

E-mail

Support Centers

E-mail [email protected] (Engineering Suite) [email protected] (Aspen ICARUS products) [email protected] (Aspen MIMI products) [email protected] (Aspen PIMS products) [email protected] (Aspen Retail products) [email protected] (Advanced Control products) [email protected] (Manufacturing Suite) [email protected] (Mexico) [email protected] (Argentina) [email protected] (Brazil) [email protected] (Engineering Suite) [email protected] (All other suites) [email protected] (CIMVIEW products) [email protected] (Singapore: Engineering Suite) [email protected] (Singapore: All other suites) [email protected] (Tokyo: Engineering Suite) [email protected] (Tokyo: All other suites)

North America

South America Europe

Asia and Pacific Region

x About This Manual

Physical Property Data 11.1

CHAPTER 1

Databanks

Overview
Physical property models require parameters to calculate properties. After you have selected the option set(s) to be used in a calculation, you must determine the parameter requirements and ensure that all required parameters are available. The required parameters can be retrieved from databanks, entered directly on the Properties Parameters forms, or estimated by the Aspen Physical Property System using the Property Constant Estimation System (PCES). This chapter discusses: the Aspen Physical Property System databanks Use of the Data File Management System (DFMS) to manage databanks Databanks available in the Aspen Physical Property System Binary parameters for activity coefficient models Electrolytes model parameters The use of the Properties Parameters forms to enter parameters and the use of parameter estimation are described in the Aspen Plus User Guide, Chapter 8 and in the Aspen Properties User Guide.

Aspen Physical Property System Databanks

Aspen Physical Property System physical property databanks are listed in Table 1.1. There are three categories of databanks: system, in-house, and user.

Physical Property Data 11.1

Databanks 1-1

System databanks System databanks are part of the Aspen Physical Property System and are delivered with it. You can modify the system databanks to add your own components or parameters. But this practice is discouraged. If you have a large amount of data, use the in-house databank instead. System databanks are available for every Aspen Physical Property System calculation. Property parameters are retrieved automatically from the PURECOMP, SOLIDS, AQUEOUS, INORGANIC, and BINARY databanks. To retrieve parameters from other databanks, use the Components.Main form. Tables 1.2 through 1.15 list the parameters available in: AQUEOUS, ASPENPCD, INORGANIC, PURE10, PURE856, PURE93,SOLIDS and COMBUST. See Databanks Available in the Aspen Physical Property System for descriptions of these databanks. In-house databanks Use the in-house databanks when you have a large amount of in-house data to be used in the Aspen Physical Property System. These databanks are independent of the system databanks. Your system administrator for AspenTech software must create and activate in-house databanks. (See Using DFMS to Manage Databanks for information about creating in-house databanks.) Information on activation of in-house databanks is in Aspen Plus System Management. User databanks User databanks are appropriate when certain data are not intended for all Aspen Physical Property System users. This may occur when the accuracy of the data is in question, or when data are of a proprietary nature. Use the Aspen Physical Property Data File Management System (DFMS) to create user databanks. (See Using DFMS to Manage Databanks.) These databanks can be used in any Aspen Physical Property System calculation. Any in-house or user databanks you created using DFMS must also be installed on ModelManager (see Aspen Plus System Management, Chapter 6, for installation instructions).

1-2 Databanks

Physical Property Data 11.1

Table 1.1

Aspen Physical Property System Physical Property Databanks

System Databanks

Databank Name

Password

Maximum Maximum Maximum Type Parameters Components Pairs Description

PURE11 ASPENPCD

PP1 100 PP1 40

2500 1000

SOLIDS AQUEOUS BINARY COMBUST ETHYLENE INORGANIC PURE856 PURE93 PURE10 AQU92

SOLIDS PP1 AQUEOUS PP1 BINARY PP2 COMBUST PP1 ETYHYLENE PP2 INORGANIC PP1 PURE856 PURE93 PURE10 AQU92

40 40 20 40 20 25

4000 4000 100 4000 100 2500 2500 2500 2500 4000

3000 3000

PP1 100 PP1 100 PP1 100 PP1 40

Main pure component databank Aspen Physical Property System pure component databank Solid component databank Aqueous component databank Binary databank Combustion databank Ethylene databank Inorganic component databank Pure component databank from release 8.5 6 Pure component databank from release 9.3 Pure component databank from version 10.2 AQUEOUS databank for Release 9.2

In-House Databanks

Databank Name

Password

Maximum Maximum Maximum Type Parameters Components Pairs Description

INHSPCD INHSSOL INHSAQUS INHSBIN

Databank Name

INHSPCD INHSSOL INHSAQUS INHSBIN

PP1 40 PP1 25 PP1 40 PP2 20

1800 2500 4000 100

3000

In-house pure component databank In-house SOLIDS databank In-house AQUEOUS databank In-house binary databank

User Databanks

Password

Maximum Maximum Maximum Type Parameters Components Pairs Description

USRPP1A USRPP1B USRPP2A USRPP2B

PP1 PP1 PP2 PP2

40 40 20 20

500 500 100 100

3000 3000

User PP1 databank User PP1 databank User PP2 databank User PP2 databank

Assigned by the user

Physical Property Data 11.1

Databanks 1-3

See Using DFMS to Manage Databanks, this chapter, for an explanation of Type.

Using DFMS to Manage Databanks

DFMS is a system for creating and updating system, in-house, or user physical property databanks. The five major functions of DFMS are to: Create a new databank Add new data to an existing databank Delete data from an existing databank Copy data from one databank to another Print the contents of a databank DFMS is a peripheral system of the Aspen Physical Property System. It has its own run procedure, which is different for each operating system. DFMS is described in Aspen Plus System Management. Physical property databanks have directories of information about the type and location of data they contain. The directory structure reflects the databank type. Two types of databanks can be created and maintained by DFMS: Type 1 (or PP1 databank) and Type 2 (or PP2 databank). Type 1 (PP1 databank) Has an unpacked structure. There is space for any combination of components and parameters. It resembles a grid, with all components listed on one axis and parameters on the other. There may be holes in the data file, if parameter values are missing (the file is not packed full). This type of databank uses only one parameter directory. Every component has the same parameters and the same structure. The grid and data structure are illustrated in Figure 1.1.

1-4 Databanks

Physical Property Data 11.1

(a) Grid Structure A1 1 A B C D E F F3 F4

Figure 1.1 Unpacked Structure Databank

(b) Data Structure

PARAMETERS 3 2

A2 4 A3 A4 B1

. . .

Type 2 (or PP2 databank) Has a packed structure, which differs from the unpacked structure in two ways: Each component has its own parameter directory and may have a unique set of parameters. Data are not stored positionally. Pointers track the data, so the file is packed full. Figure 1.2 demonstrates how pointers are used in the PP2 databank structure.
PARAMETER DIRECTORIES 1 2 COMPONENT DIRECTORY A B C 2 4 5
Figure 1.2 Packed Structure Databank

PARAMETER VALUES A1 A2 A3

C2 B4 C4 C5

A PP2 databank uses space more efficiently than a PP1 databank, but the PP2 databank requires increased overhead when storing or retrieving data. The PP1 structure is appropriate when most of the
Databanks 1-5

Physical Property Data 11.1

values are available for a relatively comprehensive set of parameters, common to all of the components included. The PP2 structure is intended for parameters not appropriate for a PP1 file. All binary pair parameters, for example, must be stored in PP2 databanks. In addition to a type, all databanks have names and passwords. Table 1.1 lists the databanks recognized by DFMS. The passwords listed for system databanks and in-house databanks are recognized by DFMS. For user databanks, you must use input language to assign a password. DFMS Input Language Conventions For readers familiar with Aspen Plus input language, the DFMS input language is similar: Keywords are written in sentences and paragraphs. Only primary keywords start in column one. Titles are enclosed in single quotes. Descriptions are enclosed in double quotes. Binary pairs are enclosed in parentheses. The slash (/) is used to separate sentences. Comment lines are allowed. Each comment line must begin with a semicolon (;). However, in DFMS input language: The sentence continuation character, the ampersand (&), is not needed. DFMS input is processed in two separate passes: first the TITLE, DESCRIPTION, FILE, and NO-ECHO commands are processed. On the second pass all remaining commands are processed. The DFMS primary keywords are:
COPY CLEAN-UP DELETE DESCRIPTION END- INPUT FILE NEW- COMP NEW- PROP NO-ECHO PRINT-DATA PRINT-DIR PROP- DATA TITLE WRFILE

1-6 Databanks

Physical Property Data 11.1

You can enter each primary keyword only once in a DFMS run. In addition, the following limitations apply:
Maximum In a

32 Characters 12 Characters 6 Characters 16 Elements 8 Elements 100 Paragraphs 1000 Sentences 100 Arguments

Component name Component alias Parameter name Unary parameter Binary parameter Run Paragraph Tertiary keyword

You may need to create several DFMS input files when building a large databank. Create the databank by making enough DFMS runs to use all the input files. The maximum number of components allowed in a databank and the maximum number of parameters per component are listed in Table 1.1. DFMS Primary Keywords There are four types of DFMS keywords:
Purpose Keywords

General utility

TITLE, DESCRIPTION, CLEAN-UP, END-INPUT Defining databank FILE, WRFILE, NEW-COMP, characteristics NEW-PROP Entering or deleting databank COPY, DELETE, PROP-DATA data Controlling databank reports NO-ECHO, PRINT-DIR, PRINT-DATA TITLE and DESCRIPTION

Your title is printed on each page of the DFMS report file, and your description is printed at the beginning of the report.
Input Language TITLE up to 64 characters enclosed in single quotes DESCRIPTION "any amount of text entered on any number of lines and enclosed in double quotes"

CLEAN-UP

CLEAN-UP compresses a databank file. Using CLEAN-UP is recommended after several deletions from a databank.
Input Language

CLEAN-UP END-INPUT

END-INPUT must be the last keyword given to DFMS. It terminates DFMS, and any keywords that follow are ignored.
Input Language

END-INPUT

Physical Property Data 11.1

Databanks 1-7

FILE

FILE is used to specify the databank names and passwords of all databanks used during a DFMS run. It also specifies whether the databank is old or newly created.
Input Language

FILE

name

password

NEW OLD

Input Language Description

name password

Name of the databank obtained from Table 1.1. Password for the system, in-house, and user databanks (see Table 1.1). A user-supplied password identical to the external file name is recommended, to avoid confusion. This password is also used to retrieve parameters from the databank in an Aspen Physical Property System calculation. For a new databank For an old databank (Default)
Creating a user databank

NEW OLD
Example 1

A user PP1 databank USRPP1A is created. The password is XYZ. It references the ASPENPCD. The FILE paragraph required is:
FILE USRPP1A XYZ NEW / ASPENPCD ASPENPCD OLD

WRFILE

WRFILE specifies that the databank can be written to. This command must precede the PROP-DATA, NEW-COMP, NEWPROP, COPY, DELETE, and CLEAN-UP paragraphs. You cannot have more than one WRFILE paragraph in a DFMS run.
Input Language

WRFILE

password

[auth]

Input Language Description

password auth

Password for the databank Optional authorization code. Needed only when you want to modify the built-in system databanks from the Aspen Physical Property System.

NEW-COMP

Use the NEW-COMP paragraph to add new components to a databank. If you use the COPY paragraph to copy data from another databank, the NEW-COMP paragraph is not required. No more than 1000 components can be added using NEW-COMP in a single DFMS run. Table 1.1 shows the maximum number of

1-8 Databanks

Physical Property Data 11.1

components or component pairs allowed for each Aspen Physical Property System databank.
Input Language

To add components:
NEW-COMP (cname1 cname cname2) calias (calias1 / . . . / . . .

To add binary pairs:

calias2)
Input Language Description

cname, cname1, cname2

Component name. If the component name contains embedded blanks, it must be enclosed in single quotes.

calias, calias1, calias2 Component alias. If the alias name contains embedded blanks, it must be enclosed in single quotes.
NEW-PROP

Use the NEW-PROP paragraph to add new property parameters to a databank. The NEW-PROP paragraph is not required if you use a COPY paragraph to copy data from another databank. Table 1.1 shows the maximum number of parameters per component that can be stored in each Aspen Physical Property System databank.
Input Language

NEW-PROP

paramname

nelem

. . .

Input Language Description

paramname nelem
Example 1

Parameter name Number of elements in the parameter

Adding parameters to a databank

The following parameters are added to a databank: TC, PC, CPIG, PLXANT, and MW. The number of elements for each parameter is 1, 1, 11, 9, and 1.
NEW-PROP TC 1 / PC 1 / CPIG 11 / PLXANT 9 / MW 1

COPY and DELETE

Use the COPY paragraph to copy information from one databank to another. Use the DELETE paragraph to delete information from a databank. You can copy or delete data for certain properties, all properties, or all components.
Input Language COPY password COMPS=cname-list PROPS=paramname-list [NEW-NAMES=cname-list] / PAIRS=pair-list PROPS=paramname-list [NEW-NAMES=cname-list] COMPS=cname-list PROPS=paramname-list PAIRS=pair-list PROPS=paramname-list /

DELETE

Physical Property Data 11.1

Databanks 1-9

Input Language Description

password COMPS

Password of the databank from which data are copied List of component names or aliases to be copied or deleted. There is a limit of 100 components for a COPY or DELETE paragraph. If COMPS=ALL, all components are copied. COMP=ALL is used only with the copy paragraph. You must specify the component names or aliases if you use the DELETE paragraph or if there are more than 100 components in the databank. List of property names to be copied or deleted. To delete a component from the databank, specify PROPS=ALL (Default=ALL). Optional list of new component names; used for COPY only. List of component pairs to be copied or deleted, in the form (cname1 cname2) (cname3 cname4), and so on. There is a limit of 50 pairs for a COPY or DELETE paragraph. If PAIRS=(ALL ALL), all component pairs are copied. You can use PAIRS=(ALL ALL) only with the COPY paragraph. You must specify the names or aliases of the component pairs if you use the DELETE paragraph, or if the databank contains more than 100 component pairs (as defined in the NEW-COMP paragraphs).

PROPS

NEW-NAMES PAIRS

Example: Creating a User Databank Using COPY

A user databank is created by copying data from the ASPENPCD. The components are CH4, H2O, C6H6, and C2H6O-2. The properties to be copied for each component are MW, TC, PC, VC, CPIG, PLXANT, DHVLWT, and RKTZRA.
COPY ASPENPCD PROPS=MW COMPS=CH4 TC PC VC H2O CPIG C6H6 C2H6O-2 PLXANT DHVLWT RKTZRA Example: Deleting a Component

All data for methane are deleted from the databank in Example 1.
DELETE COMPS=CH4

1-10 Databanks

Physical Property Data 11.1

PROP-DATA

Use PROP-DATA to add parameter values to new or existing databanks. Eight sentences are associated with this command. Each sentence must start on a new line, but not in column one. You can enter parameter values in one of two ways. The PROPLIST form is more convenient when there are more parameters than components. The COMP-LIST form is more convenient when components outnumber parameters. You must enter all data in SI units, because DFMS does not perform units conversion. Only one PROP-DATA paragraph is allowed in each DFMS run.
Input Language PROP-DATA PROP-LIST paramname srcode / . . . PVAL cname value-list / value-list /

. . .

PROP-LIST paramname srcode / . . . BPVAL cname1 cname2 value-list / value-list / . . . COMP-LIST cname-list CVAL paramname srcode 0 elemno value-list elemno value-list / . . . COMP-LIST cname-list BCVAL paramname srcode 0 elemno cname1 value-list elemno cname2 value-list / . . . Input Language Description

PROP-LIST paramname srcode PVAL cname value-list

Used to enter parameter names and source code Parameter name Parameter source code. Use any integer value. Used to enter the PROP-LIST parameter values Component name or alias List of parameter values. Enter one value for each element of the parameters listed in corresponding PROP-LIST sentences. Used to enter the PROP-LIST binary parameter values Component name or alias of first component of binary pair Component name or alias of second component of binary pair

BPVAL cname1 cname2

Physical Property Data 11.1

Databanks 1-11

value-list

List of binary parameter values. Enter two values for each element of the binary parameters listed in the corresponding PROP-LIST sentence. The two values entered are for the cname1-cname2 and the cname2-cname1 pairs. Used to enter component names or aliases; the COMP-LIST sentence cannot contain more than seven components. List of component names or aliases Used to enter the COMP-LIST parameter values Parameter element number List of parameter values. Enter one value for each component in the cname-list of the COMP-LIST sentence. Used to enter the COMP-LIST binary parameter values Parameter element number Component name or alias of the component in the first row of the binary parameter matrix Component name or alias of the component in the second row of the binary parameter matrix List of binary parameter values. Enter one value for each component in the cname-list of the COMP-LIST sentence.

COMP-LIST

cname-list CVAL elemno value-list

BCVAL elemno cname1

cname2

value-list

Example: Using PROP-LIST to Enter Data for Water

Enter TC, PC, and vapor pressure parameters for water (component H2O). PROP-LIST and PVAL are used, since there are more parameters than components.
PROP-DATA PROP-LIST PVAL H2O TC 1 / PC 1 / PLXANT 1 647.13 / 0.220550D8 / 73.6490 -7258.20 0.0 0.0 -7.3037 0.41653D-5 2.0 273.16 647.13

1-12 Databanks

Physical Property Data 11.1

Example: Using COMP-LIST and CVAL

Add TC and vapor pressure parameters for H2O, C6H6, and CH4O. COMP-LIST and CVAL are used, since there are more components than parameters.
PROP-DATA COMP-LIST CVAL TC 1 CVAL PLXANT 1 0 1 0 1 2 3 4 5 6 7 8 9 H2O C6H6 647.13 561.16 73.6490 78.050 -7258.20 -6275.50 0.0 0.0 0.0 0.0 -7.3037 -8.4443 0.41653D-5 -0.626D-5 2.0 2.0 273.16 278.68 647.13 561.16 CH4O 512.58 / 109.93 / -7471.30 / 0.0 / 0.0 / -13.988 / 0.15281D-1 / 1.0 / 175.47 / 512.58

Example: Using COMP-LIST and BCVAL

Add binary parameters for many components. With BCVAL, DFMS expects all possible pairs to be defined. If the pair is not in the databank, it must appear in the NEW-COMP paragraph. In this example, six pairs must be defined (C1-C1, C1-C2, C1-C3, C2-C2, C2-C3, and C3-C3). Defining C1-C2 also defines C2-C1.
NEW-COMP (C1 (C1 (C1 (C2 (C2 (C3 PROP-DATA COMP-LIST BCVAL WILSON C1) C2) C3) C2) C3) C3) (C1 (C1 (C1 (C2 (C2 (C3 C1) C2) C3) C2) C3) C3) / / / / /

1 0 2 2 2

C1 C1 0.0 C2 -393.58 C3 -764.31

C2 272.98 0.0 887.28

C3 -267.60 / 503.60 / 0.0

Example: Using PROP-LIST and BPVAL

Enter the UNIQUAC binary parameters for acetone and water. The number of values entered in a BPVAL sentence is equal to twice the number of elements of the binary parameter. In this example, 190.72 is the GMUQB value for the acetone-water interaction and -56.19 is the value for the water-acetone interaction.
PROP-DATA PROP-LIST GMUQB BPVAL C3H6O H2O NO-ECHO 1 -190.72 -56.19

Use NO-ECHO to suppress the echo printing of the keyword input in the report file.
Input Language

NO-ECHO

Physical Property Data 11.1

Databanks 1-13

PRINT-DIR and PRINTDATA

Use PRINT-DIR and PRINT-DATA to print the databanks directories and parameter values, to verify that the databank was created correctly.
Input Language

PRINT-DIR

password
cname - list pair - list ALL

PRINT-DATA

password

Input Language Description

password ALL cname-list pair-list

Password of the databank to be printed Print all directories or data (Default) List of component names or aliases. Default is ALL. List of pair names or aliases. Default is ALL pairs

Example: Creating a User PP1 Databank

A user PP1 databank, USRPP1A, is created with password XYZ, by copying data from the ASPENPCD. The components included are: methane, water, benzene, and ethanol. The properties copied are: MW, TC, PC, VC, CPIG, PLXANT, DHVLWT, and RKTZRA. The databank directory and values of the parameters stored in this databank are printed.
TITLE FILE WRFILE COPY CREATE A USER databank BY COPYING FROM THEASPENPCD USRPP1A XYZ ASPENPCD PROPS=MW XYZ XYZ COMPS=CH4 TC PC H2O VC C6H6 CPIG C2H6O-2 PLXANT XYZ NEW / ASPENPCD ASPENPCD OLD

DHVLWT

RKTZRA

PRINT-DIR PRINT-DATA END-INPUT

Example: Creating a User PP2 Databank

A user PP2 databank, USRPP2A, is created with the password MYDATA. This databank stores both the pure component parameters MW, DHVLWT, and the user binary parameter USRBIN. The components included are: water, benzene, and methanol. This example illustrates the use of NEW-PROP, NEWCOMP, and PROP-DATA. Both PROP-LIST and COMP-LIST sentences are used for data entry.

1-14 Databanks

Physical Property Data 11.1

TITLE USE PROP-DATA TO ENTER DATA FOR A USER PP2 databank FILE USRPP2A MYDATA NEW WRFILE MYDATA NEW-PROP MW 1 / DHVLWT 5 / USRBIN 1 NEW-COMP WATER H2O / BENZENE C6H6 / METHANOL CH4O / (WATER WATER) (H2O H2O) / (WATER BENZENE) (H2O C6H6) / (WATER METHANOL) (H2O CH4O) / (BENZENE BENZENE) (C6H6 C6H6) / (BENZENE METHANOL) (C6H6 CH4O) / (METHANOL METHANOL) (CH4O CH4O) PROP-DATA COMP-LIST H2O C6H6 CH4O CVAL MW 1 0 1 18.015 78.114 32.042 PROP-LIST DHVLWT 1 PVAL H2O 0.406831D+08 373.20 0.310646 0.0 273.20 PVAL C6H6 0.307814D+08 353.30 0.349117 0.0 278.70 PVAL CH4O 0.352780D+08 337.80 0.371655 0.0 175.50 COMP-LIST H2O C6H6 CH4O BCVAL USRBIN 1 0 1 H2O 0.0 200. 210. / 1 C6H6 -100. 0.0 310. / 1 CH4O -120. -130. 0.0 PRINT-DATA MYDATA END-INPUT

Databanks Available in the Aspen Physical Property System

The topics listed below describe the pure component databanks that are available in the Aspen Physical Property System. Each topic includes a table of the parameters available in the databank. AQUEOUS Databank AQU92 Databank ASPENPCD Databank INORGANIC Databank PURE11 Databank PURE10 Databank PURE856 Databank PURE93 Databank SOLIDS Databank COMBUST Databank ETHYLENE Databank AQUEOUS Databank Contains parameters for 900 ionic species. It is used for electrolytes applications. The key parameters are the aqueous heat and Gibbs free energy of formation at infinite dilution and aqueous phase heat capacity at infinite dilution. See Aqueous Component Databanks for the parameters and components available in the databank.

Physical Property Data 11.1

Databanks 1-15

AQU92 Databank

Contains parameters for 900 ionic species. This is the AQUEOUS databank for Aspen Plus Release 9.2. This databank has been retained for upward compatibility. See Aqueous Component Databanks for the parameters and components available in the databank. Contains parameters for 472 organic and some inorganic compounds. This databank has been superseded by the PURECOMP databank as the main source of pure component parameters. The ASPENPCD is retained for upward compatibility. See Pure Component Databanks for the parameters and components available in the PURE11 databank. Contains thermochemical data for about 2450 (mostly inorganic) components. The key data are the enthalpy, entropy, Gibbs free energy, and heat capacity correlation coefficients. For a given component, there can be data for a number of solid phases, a liquid phase, and the ideal gas phase. The same set of parameters are used to calculate enthalpy, entropy, Gibbs free energy and heat capacity for a given phase over a given temperature range. In order to achieve adequate accuracy of fit over a wide temperature range, multiple data ranges have been used for solid, liquid, and ideal gas phases:
Number of Data Ranges Properties

ASPENPCD Databank

INORGANIC Databank

7 2 3

Solid (CPSXP1 to CPSXP7) Liquid (CPLXP1 and CPLXP2) Ideal gas (CPIXP1 and CPIXP3)

In the case of the solid phase, the multiple ranges can also refer to different solid phases of different crystal structure, for the same species. If a component has more than one solid phase, each solid phase is also defined as a separate component. For example, in addition to the component FE, there are components FE-A, FE-B, FE-C, and FE-D. Each component contains data for the different solid phases of FE. For these components, the same liquid and ideal gas parameters are used. When modeling liquid metallurgical solutions, it is common to choose liquid reference state components. However, liquid solutions may have gaseous components as reference state materials. For example, oxygen, hydrogen, nitrogen, and sulfur dissolved in alloys and other phases would have ideal gas reference states. Additionally, the reference state may be monatomic (for example, 1/2 O2(g)) or polytomic (for example, S2(g)). The INORGANIC databank contains a number of components commonly used as reference state materials, such as 1/2 O2(g).

1-16 Databanks

Physical Property Data 11.1

The reference state for enthalpy, entropy and Gibbs free energy used in the INORGANIC databank is the elements in their standard phase at 25C and 1 atm. Standard enthalpy of formation at 25C is used for enthalpy while standard Gibbs free energy of formation at 25C is used in Gibbs free energy. Since this reference state is also used in ASPENPCD, PURECOMP, and other pure component databanks, it is possible to mix data from this with those from the other Aspen Physical Property System databanks. Note that this reference state is different from that used in the Barin Data Book (Barin, 1989) compilation where the enthalpy of formation and the absolute entropy at 25C are used. Therefore, the Gibbs free energy and entropy values computed using the INORGANIC databank will be different from those tabulated in the Barin Data Book. The INORGANIC databank is used for solids, pyrometallurgical, and electrolytes applications. See Inorganic Component Databank for the parameters and components available in the databank. PURE11 Databank Contains parameters for over 1727 (mostly organic) components. This is the main source of pure component parameters for the Aspen Physical Property System. The databank is based on the data developed by the AIChE DIPPR data compilation project, parameters developed by AspenTech, parameters obtained from the ASPENPCD databank, and other sources. For most calculations, the PURE11 databank contains all the property parameters you need. The parameters stored in the databank can be categorized as:. Universal constants, such as critical temperature, and critical pressure Temperature and property of transition, such as boiling point and triple point Reference state properties, such as enthalpy and Gibbs free energy of formation Coefficients for temperature-dependent thermodynamic properties, such as liquid vapor pressure Coefficients for temperature-dependent transport properties, such as liquid viscosity Safety properties, such as flash point and flammability limits Functional group information for all UNIFAC models Parameters for RKS and PR equations of state Petroleum-related properties, such as API gravity, octane numbers, aromatic content, hydrogen content, and sulfur content

Physical Property Data 11.1

Databanks 1-17

Other model-specific parameters, such as the Rackett and UNIQUAC parameters

The content of the main pure component databank is continually updated, expanded, and improved. Therefore, from one release of the Aspen Physical Property System to the next, certain parameter values change. This change can cause differences in your calculation results if you use the new, updated databank. To facilitate upward compatibility (that is, allowing you to obtain the same calculation results as in the previous release), the main pure component databank is named according to the major release of Aspen Plus or the Aspen Physical Property System. For example, the pure component databank from Release 8.5-6 is called PURE856 (see PURE856 databank). PURE93 and PURE10 are also available. See Pure Component Databanks for the parameters and components available in the PURE11 databank. PURE10 Databank Contains parameters for over 1727 (mostly organic) components. It is the main pure component databank from Aspen Plus Version 10. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE10 databank. PURE856 Databank Contains parameters for 1,212 components. It is the main pure component databank from Aspen Plus Release 8.5-6. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE856 databank. PURE93 Databank Contains parameters for 1,550 components. It is the main pure component databank from Aspen Plus Release 9.3. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE93 databank. SOLIDS Databank Contains parameters for 3314 solid components. This databank is used for solids and electrolytes applications. This databank is largely superceded by the INORGANIC databank, but is still essential for electrolytes applications. See Solids Component Databank for the parameters and components available in the databank.

1-18 Databanks

Physical Property Data 11.1

COMBUST Databank

The COMBUST databank is a special databank for high temperature, gas phase calculations. It contains parameters for 59 components typically found in combustion products, including free radicals. The CPIG parameters were determined from data in JANAF tables for temperatures up to 6000K (JANAF Thermochemical Tables, Dow Chemical Company, Midland, Michigan, 1979). Calculations using parameters in the ASPENPCD and PURECOMP are generally not accurate above 1500K. You may use the COMBUST databank only for ideal gas calculations (IDEAL option set) and only in the following unit operation models: MIXER, FSPLIT, SEP, SEP2, HEATER, HEATX, MHEATX, RSTOIC, RYIELD, REQUIL, RGIBBS, RCSTR, RPLUG, RBATCH, COMPR, MCOMPR, DUPL and MULT. You must enter the option NPHASE=1 for each unit operation block for which it is applicable, and for each STREAM. See Combust Component Databank for the parameters and components available in the databank.

ETHYLENE Databank

The new ETHYLENE databank contains pure component and binary interaction parameters required to model the typical ethylene process. The parameters are for the SRK property method which include the critical temperature, critical pressure, acentric factor and binary interaction parameters. The parameters are available for 85 components commonly encountered in the ethylene process. The ETHYLENE databank should be used with the PURE11 databank and the SRK property method. See Ethylene Component Databank for the parameters and components available in the databank.

Binary Parameters for Activity Coefficient Models

The Aspen Physical Property System offers a comprehensive collection of built-in binary parameters for the following activity coefficient models: WILSON, NRTL, and UNIQUAC. Separate databanks are available for vapor-liquid and liquid-liquid applications. The Aspen Physical Property System also contains a large collection of Henrys law constants. These built-in parameters are used automatically when the appropriate property methods are used. Binary Parameters for There are four databanks for vapor-liquid applications: VLE_IG, Vapor-Liquid VLE_RK, VLE_HOC, and VLE-LIT. Table 1.16 lists the Applications characteristics of these databanks.

Physical Property Data 11.1

Databanks 1-19

The databanks VLE_IG, VLE_RK, and VLE_HOC were developed by AspenTech using binary vapor liquid equilibrium data from the Dortmund databank. To the extent possible, only thermodynamically consistent data are used. In addition to the parameter values, the databanks contain the temperature, pressure, and composition limits of the data and the quality of the fits, such as average and maximum deviations. The databank VLE_LIT contains binary parameters obtained from the literature.
Built-in Binary Parameters for Vapor Liquid Systems

These Are used with these property databanks methods

Vapor phase model

Number of component pairs

VLE_IG VLE_RK

WILSON,NRTL, UNIQUAC Ideal gas WILS-RK,NRTL-RK, Redlich-Kwong UNIQ-RK VLE_HOC WILS-HOC,NRTL-HOC, UNIQ- Hayden-OConnell HOC VLE_LIT WILSON,NRTL, UNIQUAC Ideal gas

3600 3600 3600 1200

Binary Parameters for There are two databanks for liquid-liquid applications: LLE_ASPEN and LLE_LIT. Liquid-Liquid Applications The LLE_ASPEN databank contains binary parameters for the NRTL and UNIQUAC models, and can be used with all NRTL and UNIQUAC property methods. This databank was developed by AspenTech using binary liquid-liquid equilibrium data from the Dortmund databank. The binary parameters are valid over a very wide temperature range. The systems in the databank include those exhibiting upper critical solution temperature, lower critical solution temperature, and closed loops. The databank LLE_LIT contains binary parameters obtained from the literature for the UNIQUAC model. These binary parameters were determined from both binary and ternary liquid-liquid equilibrium data. They are valid for the temperature range 20 30C. For accurate representation of multicomponent liquid-liquid systems, binary parameters should be obtained from regression of binary and ternary LLE data in the operating range of the process. Use the Data Regression System to regress the parameters (see the Aspen Plus User Guide, Chapter 31 or the Aspen Properties User Guide). Henrys Law Constants There are two databanks of Henry's law constants: HENRY and BINARY. The HENRY databank is developed by AspenTech using gas-liquid equilibrium data from the Dortmund databank. It

1-20 Databanks

Physical Property Data 11.1

contains over 1600 sets of Henrys constants for a wide variety of solutes in solvents. The solvents are not limited to water. The BINARY databank contains Henrys constants obtained from the literature. It has data for about 60 solutes in water.

Electrolytes Model Parameters

The Aspen Physical Property System contains built-in parameters for the Pitzer and electrolyte NRTL models. The Pitzer Parameter Many binary Pitzer model parameters are available in the Aspen Physical Property System. This databank contains parameters for over 200 electrolyte pairs. All parameters were taken from the Pitzer series of papers. Only cation-anion parameters, cation-cation parameters, and anion-anion parameters are stored in the databank. There are no parameters for cation1-cation2-anion interaction, anion1-anion2-cation interaction, molecule-ion interaction, or molecule-molecule interaction. If you do not enter the Pitzer parameters on a Properties.Parameters form, the Aspen Physical Property System automatically retrieves from the databank the necessary parameters for a specific ion-ion pair. If the parameters are unavailable, the default value of zero is used. The Pitzer parameters are available only on the Calculation Engine. They are not displayed on the Properties Parameters forms. The Electrolyte NRTL Parameters Electrolyte NRTL parameters are available in the Aspen Physical Property System. This databank contains the nonrandomness factor (GMELCN), and energy parameters (GMELCC, GMELCD, GMELCE) for many molecule-electrolyte and electrolyteelectrolyte pairs. The databank also contains the binary parameters (NRTL) for molecule-molecule interactions. This databank is part of the electrolyte expert system and is searched automatically when the ELECNRTL property method is used. Parameters for a given pair are not retrieved if you enter the parameters on the Properties.Parameters form. You can access the electrolyte expert system using the Electrolyte Wizard button on the Components Specifications Selection sheet. See Electrolytes Data for detailed information on the electrolytes systems used to develop the parameter databank, the solution chemistry used, the source of data, and the application ranges. Barin, I. (1989). Thermochemical Data of Pure Substances. VCH Verlagsgesellschaft, FRG.

Physical Property Data 11.1

Databanks 1-21

Pure Component Databanks

The tables below list the components present in the pure component databanks PURE11, PURE10, PURE93, PURE856, and ASPENPCD. Components beginning with: C1 C11 O
Pure Component Databank Parameters

C2 C12 P

C3 C13 B S

C4 C14 Ca Si

C5 C15 Cl

C6 C16 Fe

C7 C17 H

C8 C18 K

C9 C19 N

C10 C20 Na

C21+ Al

Other elements

Heating Fluids
Available in Databank

Parameter Name

Description

P11 P10 P93 P856PCD

AIT ANILPT API AROMATIC ATOMNO

CPDIEC CPIG CPIGDP CPLDIP CPSDIP DCPLS DELTA DGFORM DHFORM DHLCVT DHVLB DHVLDP

Auto ignition temperature X Aniline point X Standard API gravity at 60F X Aromatic content (1=aromatic, 0=non- X aromatic) Vector containing the atom types X (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Dielectric constant X Ideal gas heat capacity coefficients DIPPR ideal gas heat capacity X coefficients DIPPR liquid heat capacity coefficients X DIPPR solid heat capacity coefficients X Difference between liquid and solid heat X capacity at the Triple point Solubility parameter at 298.2 K X Standard Gibbs free energy of X formation; ideal gas at 298.2 K Standard heat of formation; ideal gas at X 298.2 K Cavett enthalpy departure parameter Heat of vaporization at TB X DIPPR heat of vaporization coefficients X

X X X

X X

X X X X X X X X

X X X X X X X X X X X

X X

X X X

X X X X X

X X

1-22 Databanks

Physical Property Data 11.1

Available in Databank Parameter Name Description P11 P10 P93 P856PCD

Watson heat of vaporization parameters DIPPR liquid density coefficients DIPPR solid density coefficients Absolute entropy of formation at 298.2 K FLML Lower flammability limit FLMU Upper flammability limit FP Flash point FREEZEPT Normal freezing point (see also TFP) GMUQQ UNIQUAC area parameter GMUQR UNIQUAC volume parameter HCOM Standard enthalpy of combustion at 298.2 K HFUS Enthalpy of fusion at melting point HYDROGEN Hydrogen content (weight fraction) KLDIP DIPPR liquid thermal conductivity coefficients KVDIP DIPPR vapor thermal conductivity coefficients MOCTNO Motor octane number MULAND Andrade liquid viscosity coefficients MULDIP DIPPR liquid viscosity coefficients MUP Dipole moment MUVDIP DIPPR vapor viscosity coefficients MW Molecular weight NAPHTHEN Naphthene content (1=naphthenic, 0=non-naphthenic) NATOM Vector containing numbers of C, H, O, N, S, F, Cl, Br, I, Ar, and He atoms NOATOM Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. NTHA Nothnagel parameters OLEFIN Olefin content (1=olefin, 0=non-olefin) OMEGA Pitzer acentric factor OMGCTD Acentric factor for the COSTALD model OXYGEN Oxygen content (weight fraction)

DHVLWT DNLDIP DNSDIP ENT

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X X X

X X X X X

X X X

Physical Property Data 11.1

Databanks 1-23

Available in Databank Parameter Name Description P11 P10 P93 P856PCD

PARAFFIN PC PLCAVT PLXANT PRMCP PRSRP RGYR RI RKSMCP RKSSRP RKTZRA ROCTNO SG SIGDIP SULFUR SVRDIP TB TC TFP TOTAL-N2 TPP TPT UFGRP UFGRPD UFGRPL VB VC VLCVT1 VLSTD
1-24 Databanks

Paraffin content (1=paraffin, 0=nonparaffin) Critical pressure Cavett vapor pressure coefficients Extended Antoine vapor pressure coefficients Mathias-Copeman parameters for PR equation of state Schwartzentruber-Renon parameters for PR equation of state Radius of gyration Refractive index at 298.2 K Mathias-Copeman parameters for RKS equation of state Schwartzentruber-Renon parameters for RKS equation of state Rackett liquid density parameter Research octane number Standard specific gravity at 60F DIPPR surface tension coefficients Sulfur content (weight fraction) Second virial coefficient Normal boiling point Critical temperature Normal freezing point (see also FREEZEPT) Total nitrogen content (weight fraction) Triple point pressure Triple point temperature Functional group information for the UNIFAC model Functional group information for the Dortmund modified UNIFAC model Functional group information for the Lyngby modified UNIFAC model Liquid molar volume at TB Critical volume Scatchard-Hildebrand characteristic volume parameter Standard liquid volume at 60F

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X X

X X X X X X X X X

X X X

X X

X X X X

Physical Property Data 11.1

Available in Databank Parameter Name Description P11 P10 P93 P856PCD

VSTCTD WATSOL ZC

Characteristic volume for the X COSTALD model Water solubility correlation coefficients X Critical compressibility factor X

X X X

These parameters are not used in Aspen Plus models but can be accessed by user or in-house models: AIT, ENT, FLML, FLMU, SVRDIP, TPP Vectors ATOMNO and NOATOM together form the chemical formula of the compound. They are used to compute molecular weight and are used in RGIBBS. UFGRP, UFGRPD, UFGRPL contain functional group number and number of occurrences of each group. P11 = PURE11 Databank P10 = PURE10 Databank P93 = PURE93 Databank P856 = PURE856 Databank PCD = ASPENPCD Databank
Pure Component Databanks: Al
Available in Databank Alias
AL AL(OH)3 AL2(SO4)3 AL2O3 ALCL3 ALPO4-O

Name
ALUMINIUM ALUMINIUM-HYDROXIDE ALUMINIUM-SULFATE ALUMINIUM-OXIDE-ALPHA-CORUNDUM ALUMINIUM-CHLORIDE ALUMINIUM-PHOSPHATE-ORTHO

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: B

Available in Databank Alias

B2H6 B4H20NA2O17 BCL3 BF3

Name
DIBORANE BORAX BORON-TRICHLORIDE BORON-TRIFLUORIDE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X

X X

Physical Property Data 11.1

Databanks 1-25

Pure Component Databanks: C1

Available in Databank Alias

C CBR2F2 CBRCL3 CBRCLF2 CBRF3 CCL2F2 CCL2O CCL3F CCL4 CCLF3 CCLN CF4 CH2BR2 CH2BRCL CH2CL2 CH2CLF CH2F2 CH2I2 CH2O CH2O2 CH3BR CH3CL CH3F CH3I CH3NO CH3NO2 CH3SICL3 CH4 CH4N2O CH4N2S CH4O CH4O3S CH4S CH4SICL2 CH5N CH5SICL CH6N2 CH6SI CHBR3 CHBRF2 CHCL2F CHCL3 CHCLF2 CHF3 CHN

Name
CARBON-GRAPHITE DIBROMODIFLUOROMETHANE BROMOTRICHLOROMETHANE BROMOCHLORODIFLUOROMETHANE TRIFLUOROBROMOMETHANE DICHLORODIFLUOROMETHANE PHOSGENE TRICHLOROFLUOROMETHANE CARBON-TETRACHLORIDE CHLOROTRIFLUOROMETHANE CYANOGEN-CHLORIDE CARBON-TETRAFLUORIDE DIBROMOMETHANE BROMOCHLOROMETHANE DICHLOROMETHANE CHLOROFLUOROMETHANE DIFLUOROMETHANE DIIODOMETHANE FORMALDEHYDE FORMIC-ACID METHYL-BROMIDE METHYL-CHLORIDE METHYL-FLUORIDE METHYL-IODIDE FORMAMIDE NITROMETHANE METHYL-TRICHLOROSILANE METHANE UREA THIOUREA METHANOL METHANESULFONIC-ACID METHYL-MERCAPTAN METHYL-DICHLOROSILANE METHYL-AMINE METHYL-CHLOROSILANE METHYL-HYDRAZINE METHYL-SILANE TRIBROMOMETHANE BROMODIFLUOROMETHANE DICHLOROMONOFLUOROMETHANE CHLOROFORM CHLORODIFLUOROMETHANE TRIFLUOROMETHANE HYDROGEN-CYANIDE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X

X X X X X X X X

X X X X

1-26 Databanks

Physical Property Data 11.1

Available in Databank Alias

CN4O8 CO CO2 COF2 COS CS2

Name
TETRANITROMETHANE CARBON-MONOXIDE CARBON-DIOXIDE CARBONYL-FLUORIDE CARBONYL-SULFIDE CARBON-DISULFIDE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: C2

Available in Databank Alias

C2BR2F4 C2BRF3 C2CL2F4-1 C2CL2F4-2 C2CL3F3 C2CL3F3-D1 C2CL4 C2CL4F2 C2CL4F2-D1 C2CL4O C2CL5F C2CL6 C2CLF3 C2CLF5 C2F4 C2F6 C2H2 C2H2BR4 C2H2CL2-D1 C2H2CL2-D2 C2H2CL2-D3 C2H2CL2O C2H2CL2O-D1 C2H2CL2O2 C2H2CL3F C2H2CL4-D1 C2H2CL4-D2 C2H2CLF3 C2H2F2 C2H2F4 C2H2F4-D1 C2H2F4O C2H2O C2H2O2 C2H2O4 C2H3BR

Name
1,2-DIBROMOTETRAFLUOROETHANE BROMOTRIFLUOROETHYLENE 1,1-DICHLORO-1,2,2,2-TETRAFLUORO 1,2-DICHLORO-1,1,2,2-TETRAFLUORO 1,2,2-TRICHLORO-1,1,2-TRIFLUOROE 1,1,1-TRICHLOROTRIFLUOROETHANE TETRACHLOROETHYLENE 1,1,2,2-TETRACHLORO-1,2-DIFLUORO 1,1,1,2-TETRACHLORODIFLUOROETHAN TRICHLOROACETYL-CHLORIDE PENTACHLOROFLUOROETHANE HEXACHLOROETHANE CHLOROTRIFLUOROETHYLENE CHLOROPENTAFLUOROETHANE PERFLUOROETHENE PERFLUOROETHANE ACETYLENE 1,1,2,2-TETRABROMOETHANE 1,1-DICHLOROETHYLENE CIS-1,2-DICHLOROETHYLENE TRANS-1,2-DICHLOROETHYLENE CHLOROACETYL-CHLORIDE DICHLOROACETALDEHYDE DICHLOROACETIC-ACID 1,1,1-TRICHLOROFLUOROETHANE 1,1,1,2-TETRACHLOROETHANE 1,1,2,2-TETRACHLOROETHANE 2-CHLORO-1,1,1-TRIFLUOROETHANE 1,1-DIFLUOROETHYLENE 1,1,1,2-TETRAFLUOROETHANE 1,1,2,2-TETRAFLUOROETHANE BIS-DIFLUOROMETHYL-ETHER KETENE GLYOXAL OXALIC-ACID VINYL-BROMIDE

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

Physical Property Data 11.1

Databanks 1-27

Available in Databank Alias

C2H3CL C2H3CL2F C2H3CL3 C2H3CL3-D0 C2H3CLF2 C2H3CLO C2H3CLO-D0 C2H3CLO2 C2H3CLO2-D1 C2H3F C2H3F3 C2H3F3-D1 C2H3N C2H3NAO2 C2H3NO C2H3NO-E1 C2H3O2LI C2H3SICL3 C2H4 C2H4BR2 C2H4BR2-D1 C2H4CL2-1 C2H4CL2-2 C2H4CL2O C2H4F2 C2H4F2-D1 C2H4N2 C2H4N2O6 C2H4N4 C2H4O-1 C2H4O-2 C2H4O2-1 C2H4O2-2 C2H4O2S C2H4O3-D1 C2H4O3-D2 C2H4S C2H5BR C2H5CL C2H5CLO C2H5CLO-D1 C2H5F C2H5I C2H5N C2H5NO-D1

Name
VINYL-CHLORIDE 1,1-DICHLORO-1-FLUOROETHANE 1,1,2-TRICHLOROETHANE 1,1,1-TRICHLOROETHANE 1-CHLORO-1,1-DIFLUOROETHANE ACETYL-CHLORIDE CHLOROACETALDEHYDE CHLOROACETIC-ACID METHYL-CHLOROFORMATE VINYL-FLUORIDE 1,1,1-TRIFLUOROETHANE 1,1,2-TRIFLUOROETHANE ACETONITRILE SODIUM-ACETATE METHYL-ISOCYANATE HYDROXYACETONITRILE LITHIUM-ACETATE VINYLTRICHLOROSILANE ETHYLENE 1,2-DIBROMOETHANE 1,1-DIBROMOETHANE 1,1-DICHLOROETHANE 1,2-DICHLOROETHANE BIS-CHLOROMETHYL-ETHER 1,1-DIFLUOROETHANE 1,2-DIFLUOROETHANE AMINOACETONITRILE ETHYLENE-GLYCOL-DINITRATE DICYANDIAMIDE ACETALDEHYDE ETHYLENE-OXIDE ACETIC-ACID METHYL-FORMATE THIOGLYCOLIC-ACID GLYCOLIC-ACID PERACETIC-ACID THIACYCLOPROPANE ETHYL-BROMIDE ETHYL-CHLORIDE 2-CHLOROETHANOL CHLOROMETHYL-METHYL-ETHER ETHYL-FLUORIDE ETHYL-IODIDE ETHYLENE-IMINE ACETAMIDE

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X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X

X X X

X X X X X X X X X X X X X

X X X X

X X

1-28 Databanks

Physical Property Data 11.1

Available in Databank Alias

C2H5NO-D2 C2H5NO-D3 C2H5NO2 C2H5NO2-D1 C2H6 C2H6ALCL C2H6O-1 C2H6O-2 C2H6O2 C2H6O4S C2H6OS C2H6OS-D1 C2H6S-1 C2H6S-2 C2H6S2 C2H6S2-D1 C2H6SICL2 C2H7N-1 C2H7N-2 C2H7NO C2H7NO2 C2H7SICL C2H8N2 C2H8N2O4 C2H8P2O6 C2H8SI C2HBRCLF3 C2HCL2F3-D1 C2HCL2F3-D2 C2HCL2F3-D3 C2HCL3 C2HCL3O C2HCL3O-D1 C2HCL3O2 C2HCL5 C2HCLF2 C2HCLF4 C2HF3O2 C2HF5 C2N2

Name
N-METHYLFORMAMIDE ACETALDOXIME NITROETHANE GLYCINE ETHANE DIMETHYLALUMINUM-CHLORIDE DIMETHYL-ETHER ETHANOL ETHYLENE-GLYCOL DIMETHYL-SULFATE DIMETHYL-SULFOXIDE 2-MERCAPTOETHANOL ETHYL-MERCAPTAN DIMETHYL-SULFIDE DIMETHYL-DISULFIDE 1,2-ETHANEDITHIOL DIMETHYLDICHLOROSILANE ETHYL-AMINE DIMETHYLAMINE MONOETHANOLAMINE AMMONIUM-ACETATE DIMETHYLCHLOROSILANE ETHYLENEDIAMINE AMMONIUM-OXALATE 1,2-ETHANE-DIPHOSPHONIC-ACID DIMETHYL-SILANE HALOTHANE 1,1-DICHLORO-2,2,2-TRIFLUOROETHA 1,2-DICHLORO-1,1,2-TRIFLUOROETHA 2,2-DICHLORO-1,1,2-TRIFLUOROETHA TRICHLOROETHYLENE DICHLOROACETYL-CHLORIDE TRICHLOROACETALDEHYDE TRICHLOROACETIC-ACID PENTACHLOROETHANE 2-CHLORO-1,1-DIFLUOROETHYLENE 2-CHLORO-1,1,1,2-TETRAFLUOROETHA TRIFLUOROACETIC-ACID PENTAFLUOROETHANE CYANOGEN

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X X

X X X X X X X X

X X X

X X X X X X X X X

X X

Physical Property Data 11.1

Databanks 1-29

Pure Component Databanks: C3

Available in Databank Alias

C3CL2F6 C3F6 C3F6O C3F8 C3H10N2 C3H10N2-D1 C3H10SI C3H10SIO3 C3H2F6 C3H2N2 C3H3CL C3H3F3 C3H3F5 C3H3F5O C3H3N C3H3NO C3H4-1 C3H4-2 C3H4CL2 C3H4N2 C3H4O C3H4O-D0 C3H4O2-1 C3H4O2-2 C3H4O2-D0 C3H4O3 C3H4O3-D1 C3H4O4 C3H5CL C3H5CL-D0 C3H5CL3 C3H5CLO C3H5CLO2 C3H5CLO2-D1 C3H5N C3H5N3O9 C3H5NO C3H5NO-D1 C3H5NO-D2 C3H6-1 C3H6-2 C3H6CL2 C3H6CL2-D1 C3H6CL2-D2 C3H6CL2O-D1

Name
1,3-DICHLOROHEXAFLUOROPROPANE HEXAFLUOROPROPYLENE HEXAFLUOROACETONE OCTAFLUOROPROPANE 1,2-PROPANEDIAMINE 1,3-PROPANEDIAMINE TRIMETHYL-SILANE TRIMETHOXYSILANE 1,1,1,2,3,3-HEXAFLUOROPROPANE MALONONITRILE PROPARGYL-CHLORIDE 3,3,3-TRIFLUOROPROPENE 1,1,1,2,2-PENTAFLUOROPROPANE 2-DIFLUOROMETHOXY-1,1,1-TRIFLURO ACRYLONITRILE OXAZOLE PROPADIENE METHYL-ACETYLENE 2,3-DICHLOROPROPENE PYRAZOLE ACROLEIN PROPARGYL-ALCOHOL ACRYLIC-ACID VINYL-FORMATE BETA-PROPIOLACTONE ETHYLENE-CARBONATE PYRUVIC-ACID MALONIC-ACID ALLYL-CHLORIDE 2-CHLOROPROPENE 1,2,3-TRICHLOROPROPANE ALPHA-EPICHLOROHYDRIN METHYL-CHLOROACETATE ETHYL-CHLOROFORMATE PROPIONITRILE NITROGLYCERINE LACTONITRILE ACRYLAMIDE HYDRACRYLONITRILE CYCLOPROPANE PROPYLENE 1,2-DICHLOROPROPANE 1,1-DICHLOROPROPANE 1,3-DICHLOROPROPANE 1,3-DICHLORO-2-PROPANOL

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X

X X X

1-30 Databanks

Physical Property Data 11.1

Available in Databank Alias

C3H6CL2O-D2 C3H6N6 C3H6O-1 C3H6O-2 C3H6O-3 C3H6O-4 C3H6O-5 C3H6O-D0 C3H6O2-1 C3H6O2-2 C3H6O2-3 C3H6O2-D1 C3H6O2-D2 C3H6O2S C3H6O3 C3H6O3-D1 C3H6O3-D2 C3H6O3-D3 C3H6S C3H6SICL2 C3H7BR-D1 C3H7BR-D2 C3H7CL-1 C3H7CL-2 C3H7CLO2 C3H7I-D1 C3H7I-D2 C3H7N C3H7N-D1 C3H7NO C3H7NO-D1 C3H7NO2-D1 C3H7NO2-D2 C3H8 C3H8O-1 C3H8O-2 C3H8O-3 C3H8O2 C3H8O2-1 C3H8O2-2 C3H8O2-3 C3H8O3 C3H8S C3H8S-D1 C3H8S-E1

Name
2,3-DICHLORO-1-PROPANOL MELAMINE ACETONE ALLYL-ALCOHOL N-PROPIONALDEHYDE PROPYLENE-OXIDE VINYL-METHYL-ETHER 1,3-PROPYLENE-OXIDE PROPIONIC-ACID ETHYL-FORMATE METHYL-ACETATE ACETOL 2,3-EPOXY-1-PROPANOL 3-MERCAPTOPROPIONIC-ACID METHOXYACETIC-ACID LACTIC-ACID TRIOXANE DIMETHYL-CARBONATE TRIMETHYLENE-SULFIDE METHYL-VINYL-DICHLOROSILANE 1-BROMOPROPANE 2-BROMOPROPANE PROPYL-CHLORIDE ISOPROPYL-CHLORIDE 3-CHLORO-1,2-PROPANEDIOL ISOPROPYL-IODIDE N-PROPYL-IODIDE ALLYLAMINE PROPYLENEIMINE N,N-DIMETHYLFORMAMIDE N-METHYLACETAMIDE 1-NITROPROPANE 2-NITROPROPANE PROPANE 1-PROPANOL ISOPROPYL-ALCOHOL METHYL-ETHYL-ETHER 2-METHOXYETHANOL METHYLAL PROPANEDIOL-1,2 1,3-PROPANEDIOL GLYCEROL METHYL-ETHYL-SULFIDE ISOPROPYL-MERCAPTAN N-PROPYLMERCAPTAN

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X

X X X X X X X X

X X X X

X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X X

Physical Property Data 11.1

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X X

X X X

X X

X X X X X X X X X X X X

X X

Physical Property Data 11.1

Databanks 1-33

Available in Databank Alias

C4H5N3 C4H5NO C4H5NO2 C4H6-1 C4H6-2 C4H6-3 C4H6-4 C4H6CL2 C4H6CL2-E1 C4H6CL2-E2 C4H6CL2-E3 C4H6O C4H6O-D1 C4H6O-D2 C4H6O-D3 C4H6O-D4 C4H6O2-1 C4H6O2-2 C4H6O2-D1 C4H6O2-D2 C4H6O2-D3 C4H6O2-D4 C4H6O2-D5 C4H6O2S C4H6O3 C4H6O3-D1 C4H6O4-1 C4H6O4-2 C4H6O5 C4H6O5-D1 C4H6O6 C4H7CLO2 C4H7N C4H7N-D0 C4H7NO-D1 C4H7NO-D2 C4H7NO-E1 C4H7NO-E2 C4H8-1 C4H8-2 C4H8-3 C4H8-4 C4H8-5 C4H8CL2 C4H8CL2-D1

Name
2,2-IMINOBIS-ACETONITRILE ACROLEIN-CYANOHYDRIN METHYL-CYANOACETATE 1-BUTYNE 2-BUTYNE 1,2-BUTADIENE 1,3-BUTADIENE 1,4-DICHLORO-TRANS-2-BUTENE 1,3-DICHLORO-TRANS-2-BUTENE 3,4-DICHLORO-1-BUTENE 1,4-DICHLORO-CIS-2-BUTENE 2,5-DIHYDROFURAN TRANS-CROTONALDEHYDE DIVINYL-ETHER METHACROLEIN 2,3-DIHYDROFURAN VINYL-ACETATE METHYL-ACRYLATE 2-BUTYNE-1,4-DIOL GAMMA-BUTYROLACTONE CIS-CROTONIC-ACID TRANS-CROTONIC-ACID METHACRYLIC-ACID SULFOLENE ACETIC-ANHYDRIDE PROPYLENE-CARBONATE DIMETHYL-OXALATE SUCCINIC-ACID DIGLYCOLIC-ACID MALIC-ACID TARTARIC-ACID ETHYLCHLOROACETATE BUTYRONITRILE ISOBUTYRONITRILE ACETONE-CYANOHYDRIN 2-PYRROLIDONE 2-METHACRYLAMIDE 3-METHOXYPROPIONITRILE 1-BUTENE CIS-2-BUTENE TRANS-2-BUTENE CYCLOBUTANE ISOBUTYLENE 1,4-DICHLOROBUTANE 1,2-DICHLOROBUTANE

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X X X X

X X

X X X

X X X X X X X X X X X X X X X X

X X X X X

1-34 Databanks

Physical Property Data 11.1

Available in Databank Alias

C4H8CL2-D2 C4H8CL2O C4H8O C4H8O-1 C4H8O-2 C4H8O-3 C4H8O-4 C4H8O-5 C4H8O-D1 C4H8O2-1 C4H8O2-2 C4H8O2-3 C4H8O2-4 C4H8O2-5 C4H8O2-6 C4H8O2-D1 C4H8O2-D2 C4H8O2-D3 C4H8O2-D4 C4H8O2-D5 C4H8O2-D6 C4H8O2S C4H8O3 C4H8O3-D1 C4H8OS C4H8S C4H9BR-D1 C4H9BR-D2 C4H9CL-1 C4H9CL-2 C4H9CL-3 C4H9CL-D1 C4H9I C4H9N C4H9NO C4H9NO-D0 C4H9NO2

Name

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

2,3-DICHLOROBUTANE X DICHLOROETHYL-ETHER X 1,2-EPOXYBUTANE X N-BUTYRALDEHYDE X ISOBUTYRALDEHYDE X METHYL-ETHYL-KETONE X TETRAHYDROFURAN X VINYL-ETHYL-ETHER X 1,2-EPOXY-2-METHYLPROPANE X N-BUTYRIC-ACID X 1,4-DIOXANE X ETHYL-ACETATE X ISOBUTYRIC-ACID X METHYL-PROPIONATE X N-PROPYL-FORMATE X ACETALDOL X CIS-2-BUTENE-1,4-DIOL X TRANS-2-BUTENE-1,4-DIOL X 1,3-DIOXANE X 3-HYDROXY-2-METHYL-PROPIONALDEHY X 4-HYDROXYBUTYRALDEHYDE X SULFOLANE X METHYL-LACTATE X ALPHA-HYDROXYISOBUTYRIC-ACID X 3-METHYLMERCAPTO-PROPANAL X TETRAHYDROTHIOPHENE X 1-BROMOBUTANE X 2-BROMOBUTANE X 1-CHLOROBUTANE X 2-CHLOROBUTANE X TERT-BUTYL-CHLORIDE X ISOBUTYL-CHLORIDE X N-BUTYL-IODIDE X PYRROLIDINE X MORPHOLINE X N,N-DIMETHYLACETAMIDE X 1-NITROBUTANE X

X X X X X X X X X X X

X X X X X X X X X X

X X X X X X

X X X

X X

Pure Component Databanks: C5

Available in Databank Alias

C5CL6 C5H10-1 C5H10-2 C5H10-3 C5H10-4

Name
HEXACHLOROCYCLOPENTADIENE CYCLOPENTANE 1-PENTENE CIS-2-PENTENE TRANS-2-PENTENE

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X X X X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-35

Available in Databank Alias

C5H10-5 C5H10-6 C5H10-7 C5H10CL2 C5H10NNAS2 C5H10O-1 C5H10O-2 C5H10O-3 C5H10O-4 C5H10O2 C5H10O2-1 C5H10O2-2 C5H10O2-3 C5H10O2-4 C5H10O2-5 C5H10O2-6 C5H10O2-D1 C5H10O2-D2 C5H10O2-D3 C5H10O2-D4 C5H10O2-D5 C5H10O2-D6 C5H10O2-D7 C5H10O2S C5H10O3-D1 C5H10O3-D2 C5H11CL C5H11N C5H11N-D0 C5H11N-D1 C5H11NO C5H12-1 C5H12-2 C5H12-3 C5H12O C5H12O-1 C5H12O-2 C5H12O-3 C5H12O-4 C5H12O-5 C5H12O-6 C5H12O-D1 C5H12O-D2 C5H12O-D3 C5H12O-D4

Name
2-METHYL-1-BUTENE 2-METHYL-2-BUTENE 3-METHYL-1-BUTENE 1,5-DICHLOROPENTANE SODIUM-DIETHYLDITHIOCARBAMATE VALERALDEHYDE METHYL-N-PROPYL-KETONE METHYL-ISOPROPYL-KETONE DIETHYL-KETONE NEOPENTANOIC-ACID N-VALERIC-ACID ISOBUTYL-FORMATE N-PROPYL-ACETATE ETHYL-PROPIONATE METHYL-BUTYRATE METHYL-ISOBUTYRATE N-BUTYL-FORMATE ISOPROPYL-ACETATE ISOVALERIC-ACID 2-METHYLBUTYRIC-ACID TETRAHYDROFURFURYL-ALCOHOL SEC-BUTYL-FORMATE TERT-BUTYL-FORMATE 3-METHYL-SULFOLANE DIETHYL-CARBONATE ETHYL-LACTATE 1-CHLOROPENTANE PIPERIDINE N-METHYLPYRROLIDINE CYCLOPENTYLAMINE TERT-BUTYLFORMAMIDE N-PENTANE 2-METHYL-BUTANE 2,2-DIMETHYL-PROPANE METHYL-SEC-BUTYL-ETHER 1-PENTANOL 2-METHYL-1-BUTANOL 3-METHYL-1-BUTANOL 2-METHYL-2-BUTANOL 2,2-DIMETHYL-1-PROPANOL ETHYL-PROPYL-ETHER 3-METHYL-2-BUTANOL METHYL-TERT-BUTYL-ETHER 2-PENTANOL 3-PENTANOL

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X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X

1-36 Databanks

Physical Property Data 11.1

Available in Databank Alias

C5H12O-D5 C5H12O-E1 C5H12O-E2 C5H12O2-D1 C5H12O2-D2 C5H12O2-D3 C5H12O2-D4 C5H12O2-D5 C5H12O3 C5H12O4 C5H12S C5H12S-D1 C5H12S-D2 C5H13N C5H13NO2 C5H4O2 C5H4O3 C5H5N C5H6 C5H6-E1 C5H6-E2 C5H6-E3 C5H6N2 C5H6O2 C5H6O3 C5H6O4-E1 C5H6O4-E2 C5H6S-E1 C5H6S-E2 C5H7N C5H7NO2 C5H8 C5H8-1 C5H8-2 C5H8-3 C5H8-4 C5H8-5 C5H8-6 C5H8-7 C5H8-E2 C5H8-E4 C5H8-E5 C5H8N4O12 C5H8O

Name
ETHYL-ISOPROPYL-ETHER METHYL-ISOBUTYL-ETHER METHYL-N-BUTYL-ETHER NEOPENTYL-GLYCOL 1,5-PENTANEDIOL ETHYLENE-GLYCOL-MONOPROPYLETHER ETHYLAL 2,4-PENTANEDIOL 2-2-METHOXYETHOXY-ETHANOL PENTAERYTHRITOL 1-PENTANETHIOL METHYL-T-BUTYL-SULFIDE METHYL-N-BUTYL-SULFIDE N-PENTYLAMINE METHYL-DIETHANOLAMINE FURFURAL METHYL-MALEIC-ANHYDRIDE PYRIDINE CYCLOPENTADIENE 2-METHYL-1-BUTENE-3-YNE 1-PENTENE-3-YNE 1-PENTENE-4-YNE GLUTARONITRILE FURFURYL-ALCOHOL GLUTARIC-ANHYDRIDE CITRACONIC-ACID ITACONIC-ACID 2-METHYLTHIOPHENE 3-METHYLTHIOPHENE N-METHYLPYRROLE ETHYL-CYANOACETATE CIS-1,3-PENTADIENE CYCLOPENTENE 1,2-PENTADIENE 1-TRANS-3-PENTADIENE 1,4-PENTADIENE 1-PENTYNE 2-METHYL-1,3-BUTADIENE 3-METHYL-1,2-BUTADIENE 3-METHYL-1-BUTYNE 2,3-PENTADIENE 2-PENTYNE PENTAERYTHRITOL-TETRANITRATE CYCLOPENTANONE

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X X X X X X

X X X X X X X

Physical Property Data 11.1

Databanks 1-37

Available in Databank Alias

C5H8O-D1 C5H8O2 C5H8O2-D1 C5H8O2-D2 C5H8O2-D3 C5H8O2-D4 C5H8O2-D5 C5H8O2-D6 C5H8O3 C5H8O3-D1 C5H8O3-D2 C5H8O4 C5H9N C5H9NO-D1 C5H9NO-D2 C5H9NO4 C5H9NS

Name
METHYL-ISOPROPENYL-KETONE ETHYL-ACRYLATE ACETYLACETONE ALLYL-ACETATE METHYL-METHACRYLATE GAMMA-VALEROLACTONE VINYL-PROPIONATE GLUTARALDEHYDE 2-HYDROXYETHYL-ACRYLATE LEVULINIC-ACID METHYL-ACETOACETATE GLUTARIC-ACID VALERONITRILE N-BUTYL-ISOCYANATE N-METHYL-2-PYRROLIDONE L-GLUTAMIC-ACID N-METHYLTHIOPYRROLIDONE

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-40 Databanks

Physical Property Data 11.1

Available in Databank Alias

C6H14O2-D2 C6H14O2-D3 C6H14O2-D4 C6H14O2-D5 C6H14O2-D6 C6H14O2-D7 C6H14O2S C6H14O3-D1 C6H14O3-D2 C6H14O3-D3 C6H14O3-D4 C6H14O4 C6H14O6 C6H14S C6H14S-D1 C6H14S-D2 C6H14S-D3 C6H14S2 C6H15AL C6H15AL2CL3 C6H15N-1 C6H15N-2 C6H15N-D1 C6H15N-D2 C6H15N-D3 C6H15N3 C6H15NO C6H15NO-D1 C6H15NO2 C6H15NO3 C6H15O4P C6H16N2 C6H16N2-D1 C6H18N3OP C6H18N4 C6H18O3SI3 C6H18OSI2 C6H19NSI2 C6H3CL2NO2 C6H3CL3 C6H3CL3-D1 C6H3CL3-D2 C6H3CLN2O4 C6H3N3O6 C6H4BR2

Name

P11 P10 P93 P856PCD

X X X X X X X X X X X

2-BUTOXYETHANOL X 1,6-HEXANEDIOL X HEXYLENE-GLYCOL X 1,2-DIETHOXYETHANE X 1-ISOPROPOXY-2-PROPANOL X PROPYLENE-GLYCOL-N-PROPYL-ETHER X DI-N-PROPYL-SULFONE X DIETHYLENE-GLYCOL-DIMETHYL-ETHER X DIPROPYLENE-GLYCOL X 2-2-ETHOXYETHOXY-ETHANOL X TRIMETHYLOLPROPANE X TRIETHYLENE-GLYCOL X SORBITOL X N-HEXYLMERCAPTAN X DI-N-PROPYL-SULFIDE X METHYL-T-PENTYL-SULFIDE X ETHYL-T-BUTYL-SULFIDE X DI-N-PROPYLDISULFIDE X TRIETHYL-ALUMINUM X ETHYL-ALUMINUM-SESQUICHLORIDE X DIPROPYLAMINE X TRIETHYLAMINE X DIISOPROPYLAMINE X N-HEXYLAMINE X N,N-DIMETHYL-N-BUTYLAMINE X N-AMINOETHYL-PIPERAZINE X 6-AMINOHEXANOL X DIETHYLETHANOLAMINE X DIISOPROPANOLAMINE X TRIETHANOLAMINE X TRIETHYL-PHOSPHATE X HEXAMETHYLENEDIAMINE X TETRAMETHYLETHYLENEDIAMINE X HEXAMETHYL-PHOSPHORAMIDE X TRIETHYLENE-TETRAMINE X HEXAMETHYLCYCLOTRISILOXANE X HEXAMETHYLDISILOXANE X HEXAMETHYLDISILAZANE X 1,2-DICHLORO-4-NITROBENZENE X 1,2,4-TRICHLOROBENZENE X 1,3,5-TRICHLOROBENZENE X 1,2,3-TRICHLOROBENZENE X 1-CHLORO-2,4-DINITROBENZENE X 1,3,5-TRINITROBENZENE X M-DIBROMOBENZENE X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X

X X X X X X X X X X X X X X X X X X X

X X

X X X

Physical Property Data 11.1

Databanks 1-41

Available in Databank Alias

C6H4CL2-1 C6H4CL2-2 C6H4CL2-3 C6H4CLNO2-D1 C6H4CLNO2-D2 C6H4CLNO2-D3 C6H4N2 C6H4N2O4-E1 C6H4N2O4-E2 C6H4N2O4-E3 C6H4O2 C6H5BR C6H5CL C6H5CL2N C6H5CLO-E1 C6H5CLO-E2 C6H5CLO-E3 C6H5F C6H5I C6H5NO2 C6H5NO2-D1 C6H5SICL3 C6H6 C6H6CLN-D1 C6H6CLN-D2 C6H6CLN-D3 C6H6N2-E1 C6H6N2-E2 C6H6N2-E3 C6H6N2O2-D1 C6H6N2O2-D2 C6H6N2O2-D3 C6H6N4 C6H6O C6H6O2 C6H6O2-E1 C6H6O2-E2 C6H6O3 C6H6O3S C6H6S C6H7N-1 C6H7N-2 C6H7N-D1 C6H7N-D2 C6H7NO3S

Name
O-DICHLOROBENZENE M-DICHLOROBENZENE P-DICHLOROBENZENE M-CHLORONITROBENZENE O-CHLORONITROBENZENE P-CHLORONITROBENZENE NICOTINONITRILE M-DINITROBENZENE O-DINITROBENZENE P-DINITROBENZENE QUINONE BROMOBENZENE CHLOROBENZENE 3,4-DICHLOROANILINE M-CHLOROPHENOL O-CHLOROPHENOL P-CHLOROPHENOL FLUOROBENZENE IODOBENZENE NITROBENZENE NIACIN PHENYLTRICHLOROSILANE BENZENE M-CHLOROANILINE O-CHLOROANILINE P-CHLOROANILINE CIS-DICYANO-1-BUTENE TRANS-DICYANO-1-BUTENE 1,4-DICYANO-2-BUTENE M-NITROANILINE O-NITROANILINE P-NITROANILINE 2,2,2-NITRILOTRIS-ACETONITRILE PHENOL P-HYDROQUINONE 1,2-BENZENEDIOL 1,3-BENZENEDIOL 1,2,3-BENZENETRIOL BENZENESULFONIC-ACID PHENYL-MERCAPTAN ANILINE 4-METHYLPYRIDINE 2-METHYLPYRIDINE 3-METHYLPYRIDINE SULFANILIC-ACID

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X X

X X X X X X X X X X X X X X X X X X X X

X X

1-42 Databanks

Physical Property Data 11.1

Available in Databank Alias

C6H8-E1 C6H8-E2 C6H8-E3 C6H8N2 C6H8N2-D1 C6H8N2-D2 C6H8N2-D3 C6H8N2-D4 C6H8N2-D5 C6H8N2O C6H8O4 C6H8O6 C6H8O7

Name
1,3-CYCLOHEXADIENE METHYLCYCLOPENTADIENE 1,4-CYCLOHEXADIENE METHYLGLUTARONITRILE ADIPONITRILE M-PHENYLENEDIAMINE O-PHENYLENEDIAMINE P-PHENYLENEDIAMINE PHENYLHYDRAZINE BIS-CYANOETHYL-ETHER DIMETHYL-MALEATE ASCORBIC-ACID CITRIC-ACID

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: C7

Available in Databank Alias

C7F14 C7F16 C7H10 C7H10N2 C7H10N2-D1 C7H10O2 C7H11NO C7H12 C7H12-D1 C7H12O2 C7H12O2-D1 C7H12O2-D2 C7H12O2-D3 C7H12O2-D4 C7H12O3 C7H12O4 C7H12O4-D1 C7H14-1 C7H14-2 C7H14-3 C7H14-4 C7H14-5 C7H14-6 C7H14-7 C7H14-8 C7H14-D1 C7H14-D2 C7H14-D3 C7H14-E10

Name
PERFLUOROMETHYLCYCLOHEXANE PERFLUORO-N-HEPTANE 2-NORBORNENE TOLUENEDIAMINE 2,6-DIAMINOTOLUENE ALLYL-METHACRYLATE CYCLOHEXYL-ISOCYANATE CYCLOHEPTENE 1-HEPTYNE CYCLOPENTYLACETIC-ACID N-BUTYL-ACRYLATE ISOBUTYL-ACRYLATE N-PROPYL-METHACRYLATE CYCLOHEXYL-FORMATE 2-HYDROXYPROPYL-METHACRYLATE DIETHYL-MALONATE PIMELIC-ACID CYCLOHEPTANE 1,1-DIMETHYLCYCLOPENTANE CIS-1,2-DIMETHYLCYCLOPENTANE TRANS-1,2-DIMETHYLCYCLOPENTANE ETHYLCYCLOPENTANE METHYLCYCLOHEXANE 1-HEPTENE 2,3,3-TRIMETHYL-1-BUTENE CIS-2-HEPTENE CIS-3-HEPTENE 5-METHYL-1-HEXENE 3-METHYL-1-HEXENE

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-43

Available in Databank Alias

C7H14-E2 C7H14-E3 C7H14-E4 C7H14-E5 C7H14-E6 C7H14-E7 C7H14-E8 C7H14-E9 C7H14O C7H14O-D1 C7H14O-D10 C7H14O-D2 C7H14O-D3 C7H14O-D4 C7H14O-D5 C7H14O-D6 C7H14O-D7 C7H14O-D8 C7H14O-D9 C7H14O-E1 C7H14O-E2 C7H14O-E3 C7H14O-E4 C7H14O2-D1 C7H14O2-D2 C7H14O2-D3 C7H14O2-D4 C7H14O2-D5 C7H14O2-D6 C7H14O2-D7 C7H14O2-D8 C7H14O2-D9 C7H14O3 C7H14O3-D1 C7H15BR C7H15N C7H16-1 C7H16-2 C7H16-3 C7H16-4 C7H16-5 C7H16-6 C7H16-7 C7H16-8 C7H16-9

Name
CIS-1,3-DIMETHYLCYCLOPENTANE TRANS-1,3-DIMETHYLCYCLOPENTANE TRANS-2-HEPTENE TRANS-3-HEPTENE 4-METHYL-1-HEXENE 2-ETHYL-1-PENTENE 3-ETHYL-1-PENTENE 2-METHYL-1-HEXENE DIISOPROPYL-KETONE 1-HEPTANAL 5-METHYL-2-HEXANONE 2-HEPTANONE 1-METHYLCYCLOHEXANOL CIS-2-METHYLCYCLOHEXANOL TRANS-2-METHYLCYCLOHEXANOL CIS-3-METHYLCYCLOHEXANOL TRANS-3-METHYLCYCLOHEXANOL CIS-4-METHYLCYCLOHEXANOL TRANS-4-METHYLCYCLOHEXANOL 3-HEPTANONE 4-HEPTANONE 2-METHYLHEXANAL 3-METHYLHEXANAL N-BUTYL-PROPIONATE ETHYL-ISOVALERATE N-HEPTANOIC-ACID ISOPENTYL-ACETATE N-PENTYL-ACETATE N-PROPYL-N-BUTYRATE N-PROPYL-ISOBUTYRATE N-HEXYL-FORMATE NEOHEPTANOIC-ACID ETHYL-3-ETHOXYPROPIONATE PG-ETHYL-ETHER-ACETATE 1-BROMOHEPTANE N-METHYLCYCLOHEXYLAMINE N-HEPTANE 2-METHYLHEXANE 3-METHYLHEXANE 2,2-DIMETHYLPENTANE 2,3-DIMETHYLPENTANE 2,4-DIMETHYLPENTANE 3,3-DIMETHYLPENTANE 3-ETHYLPENTANE 2,2,3-TRIMETHYLBUTANE

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X X X X X X

X X X X X X X X X X X X

X X X X X X X X X

1-44 Databanks

Physical Property Data 11.1

Available in Databank Alias

C7H16O C7H16O-D0 C7H16O-D1 C7H16O-D2 C7H16O-D3 C7H16O-E1 C7H16O-E2 C7H16O2 C7H16O2-D1 C7H16O3 C7H16O3-D1 C7H16O4 C7H16S C7H17N C7H3CL2F3 C7H3CL2NO C7H3CLF3NO2 C7H4CL2O C7H4CLF3 C7H4F3NO2 C7H5CL3 C7H5CLO C7H5CLO2 C7H5F3 C7H5N C7H5N3O6 C7H5N5O8 C7H5NAO2 C7H5NO C7H5NS2 C7H6CL2 C7H6CL2-D1 C7H6N2O4-E1 C7H6N2O4-E2 C7H6N2O4-E3 C7H6N2O4-E4 C7H6N2O4-E5 C7H6O C7H6O2 C7H6O2-D0 C7H6O2-E1 C7H6O3 C7H7BR C7H7CL-D1 C7H7CL-D2

Name

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-HEPTANOL X 2-HEPTANOL X ISOPROPYL-BUTYL-ETHER X ISOPROPYL-ISOBUTYL-ETHER X 2-METHYL-1-HEXANOL X ISOHEPTANOL X ETHYL-TERT-PENTYL-ETHER X PG-1-TERT-BUTYL-ETHER X PG-2-TERT-BUTYL-ETHER X DPG-MONOMETHYL-ETHER X DIETHYLENE-GLYCOL-PROPYL-ETHER X 2-2-2-METHOXYETHOXY-ETHOXY-ETHAN X N-HEPTYL-MERCAPTAN X 1-AMINOHEPTANE X 2,4-DICHLOROBENZOTRIFLUORIDE X 3,4-DICHLOROPHENYL-ISOCYANATE X 4-CHLORO-3-NITROBENZOTRIFLUORIDE X M-CHLOROBENZOYL-CHLORIDE X P-CHLOROBENZOTRIFLUORIDE X 3-NITROBENZOTRIFLUORIDE X BENZOTRICHLORIDE X BENZOYL-CHLORIDE X O-CHLOROBENZOIC-ACID X BENZOTRIFLUORIDE X BENZONITRILE X 2,4,6-TRINITROTOLUENE X TETRYL X SODIUM-BENZOATE PHENYL-ISOCYANATE X 2-MERCAPTOBENZOTHIAZOLE X 2,4-DICHLOROTOLUENE X BENZYL-DICHLORIDE X 2,4-DINITROTOLUENE X 2,5-DINITROTOLUENE X 2,6-DINITROTOLUENE X 3,4-DINITROTOLUENE X 3,5-DINITROTOLUENE X BENZALDEHYDE X BENZOIC-ACID X SALICYLALDEHYDE X P-HYDROXY-BENZALDEHYDE X SALICYLIC-ACID X P-BROMOTOLUENE X BENZYL-CHLORIDE X O-CHLOROTOLUENE X

X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X

X X

Physical Property Data 11.1

X X X X X X X X

X X

X X X X X X X X X X

X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-47

Available in Databank Alias

C8H16-8 C8H16-9 C8H16-D1 C8H16-D10 C8H16-D2 C8H16-D3 C8H16-D4 C8H16-D5 C8H16-D6 C8H16-D7 C8H16-D8 C8H16-D9 C8H16-E1 C8H16-E2 C8H16O C8H16O-E1 C8H16O-E2 C8H16O2 C8H16O2-D1 C8H16O2-D2 C8H16O2-D3 C8H16O2-D4 C8H16O2-D5 C8H16O2-D6 C8H16O3 C8H16O4 C8H18 C8H18-1 C8H18-10 C8H18-11 C8H18-12 C8H18-13 C8H18-14 C8H18-15 C8H18-16 C8H18-17 C8H18-2 C8H18-3 C8H18-4 C8H18-5 C8H18-6 C8H18-7 C8H18-8 C8H18-9 C8H18O

Name
ETHYLCYCLOHEXANE 1,1,2-TRIMETHYLCYCLOPENTANE 2-ETHYL-1-HEXENE 6-METHYL-1-HEPTENE TRANS-3-OCTENE TRANS-4-OCTENE 2,4,4-TRIMETHYL-1-PENTENE 2,4,4-TRIMETHYL-2-PENTENE CYCLOOCTANE CIS-2-OCTENE CIS-4-OCTENE CIS-3-OCTENE 2,3-DIMETHYL-1-HEXENE 2-METHYL-1-HEPTENE 2-ETHYLHEXANAL 1-OCTANAL 2-OCTANONE 1,4-CYCLOHEXANEDIMETHANOL N-BUTYL-N-BUTYRATE ISOBUTYL-ISOBUTYRATE N-OCTANOIC-ACID N-HEXYL-ACETATE N-HEPTYL-FORMATE 2-ETHYL-HEXANOIC-ACID EG-MONOBUTYL-ETHER-ACETATE 2-2-ETHOXYETHOXY-ETHYL-ACETATE 2,2,3,3-TETRAMETHYLBUTANE N-OCTANE 3,4-DIMETHYLHEXANE 3-ETHYLHEXANE 2,2,3-TRIMETHYLPENTANE 2,2,4-TRIMETHYLPENTANE 2,3,3-TRIMETHYLPENTANE 2,3,4-TRIMETHYLPENTANE 2-METHYL-3-ETHYLPENTANE 3-METHYL-3-ETHYLPENTANE 2-METHYLHEPTANE 3-METHYLHEPTANE 4-METHYLHEPTANE 2,2-DIMETHYLHEXANE 2,3-DIMETHYLHEXANE 2,4-DIMETHYLHEXANE 2,5-DIMETHYLHEXANE 3,3-DIMETHYLHEXANE DI-TERT-BUTYL-ETHER

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-48 Databanks

Physical Property Data 11.1

Available in Databank Alias

C8H18O-1 C8H18O-2 C8H18O-3 C8H18O-4 C8H18O-D1 C8H18O-D2 C8H18O-D3 C8H18O2 C8H18O2-D1 C8H18O2-E2 C8H18O2S C8H18O3 C8H18O3-D1 C8H18O4 C8H18O4-D1 C8H18O5 C8H18S C8H18S-D1 C8H18SO4 C8H19N C8H19N-D0 C8H19N-D1 C8H20PB C8H20SI C8H23N5 C8H24O4SI4 C8H24SI3O2 C8H4CL2O2 C8H4O3 C8H6 C8H6O2 C8H6O3 C8H6O3-D1 C8H6O4-D1 C8H6O4-D2 C8H6O4-D3 C8H6S C8H7N C8H7N-D1 C8H8 C8H8O C8H8O-D0 C8H8O-D1 C8H8O-D2

Name
1-OCTANOL 2-OCTANOL 2-ETHYLHEXANOL BUTYL-ETHER DI-SEC-BUTYL-ETHER DIISOBUTYL-ETHER ETHYL-N-HEXYL-ETHER DI-T-BUTYL-PEROXIDE 2-HEXOXYETHANOL 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-N-BUTYL-SULFONE DIETHYLENE-GLYCOL-MONOBUTYLETHE DIETHYLENE-GLYCOL-DIETHYL-ETHER TRIETHYLENE-GLYCOL-DIMETHYL-ETHE TRIETHYLENE-GLYCOL-ETHYL-ETHER TETRAETHYLENE-GLYCOL TERT-OCTYLMERCAPTAN N-OCTYL-MERCAPTAN DI-N-BUTYL-SULFATE DIBUTYLAMINE N-OCTYLAMINE DIISOBUTYLAMINE TETRAETHYL-LEAD TETRAETHYL-SILANE TETRAETHYLENEPENTAMINE OCTAMETHYLCYCLOTETRASILOXANE OCTAMETHYLTRISILOXANE ISOPHTHALOYL-CHLORIDE PHTHALIC-ANHYDRIDE ETHYNYLBENZENE TEREPHTHALDEHYDE 4-CARBOXYBENZALDEHYDE 2-FORMYL-BENZOIC-ACID ISOPHTHALIC-ACID PHTHALIC-ACID TEREPHTHALIC-ACID BENZOTHIOPHENE INDOLE PHENYLACETONITRILE STYRENE METHYL-PHENYL-KETONE P-TOLUALDEHYDE 4-HYDROXYSTYRENE O-TOLUALDEHYDE

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X

X X X X

X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-49

Available in Databank Alias

C8H8O-D3 C8H8O2 C8H8O2-D1 C8H8O2-D2 C8H8O2-D3 C8H8O2-D4 C8H8O2-D5 C8H8O3 C8H8O3-D1 C8H9NO C8H9NO2

Name
M-TOLUALDEHYDE METHYL-BENZOATE O-TOLUIC-ACID P-TOLUIC-ACID BENZYL-FORMATE 2-HYDROXYACETOPHENONE 4-HYDROXYACETOPHENONE METHYL-SALICYLATE VANILLIN ACETANILIDE ACETAMINOPHEN

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

Pure Component Databanks: C9

Available in Databank Alias

C9H10 C9H10-E1 C9H10-E2 C9H10-E3 C9H10-E4 C9H10-E5 C9H10-E6 C9H10O C9H10O2 C9H10O2-D0 C9H10O2-D1 C9H10O3 C9H10O3-D1 C9H10O3-D2 C9H11NO C9H11NO2 C9H12 C9H12-1 C9H12-2 C9H12-3 C9H12-4 C9H12-5 C9H12-6 C9H12-7 C9H12-8 C9H12-D1 C9H12O C9H12O-D1 C9H12O-D2 C9H12O-D3 C9H12O-D4

Name
ALPHA-METHYL-STYRENE INDANE M-METHYL-STYRENE O-METHYL-STYRENE P-METHYL-STYRENE CIS-1-PROPENYLBENZENE TRANS-1-PROPENYLBENZENE 2-PHENYLPROPIONALDEHYDE ETHYL-BENZOATE BENZYL-ACETATE ALPHA-METHYLBENZYL-FORMATE ETHYL-VANILLIN ACETOVANILLONE 4-METHOXYPHENYLACETIC-ACID P-DIMETHYLAMINOBENZALDEHYDE L-PHENYLALANINE 5-ETHYLIDENE-2-NORBORNENE N-PROPYLBENZENE ISOPROPYLBENZENE 1-METHYL-2-ETHYLBENZENE 1-METHYL-3-ETHYLBENZENE 1-METHYL-4-ETHYLBENZENE 1,2,3-TRIMETHYLBENZENE 1,2,4-TRIMETHYLBENZENE 1,3,5-TRIMETHYLBENZENE VINYLNORBORNENE BENZYL-ETHYL-ETHER 1-PHENYL-1-PROPANOL 1-PHENYL-2-PROPANOL 2-PHENYL-1-PROPANOL 3-PHENYL-1-PROPANOL

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X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X

X X X X X X X X

1-50 Databanks

Physical Property Data 11.1

Available in Databank Alias

C9H12O-E1 C9H12O2 C9H14 C9H14-D1 C9H14-D2 C9H14O C9H14O6 C9H14O7 C9H15N C9H16-D1 C9H16O4 C9H18 C9H18-1 C9H18-2 C9H18-3 C9H18-D1 C9H18-D2 C9H18-D3 C9H18O C9H18O-D1 C9H18O-E1 C9H18O-E2 C9H18O2 C9H18O2-D1 C9H18O2-D2 C9H18O2-D3 C9H18O3 C9H18O4 C9H20-1 C9H20-2 C9H20-3 C9H20-4 C9H20-5 C9H20-6 C9H20-7 C9H20-8 C9H20-9 C9H20-D1 C9H20-D2 C9H20-D3 C9H20-D4 C9H20-E1 C9H20-E2 C9H20-E3 C9H20-E4

Name
DIMETHYL-PHENYL-CARBINOL CUMENE-HYDROPEROXIDE PROPENYL-CYCLOHEXENE ETHYLNORBORNENE 1-METHYL-4-VINYLCYCLOHEXENE ISOPHORONE GLYCERYL-TRIACETATE TRILACTIC-ACID TRIALLYLAMINE 1-NONYNE AZELAIC-ACID 1-TRANS-3,5-TRIMETHYLCYCLOHEXANE N-PROPYLCYCLOHEXANE ISOPROPYLCYCLOHEXANE 1-NONENE N-BUTYLCYCLOPENTANE 2-METHYL-1-OCTENE 7-METHYL-1-OCTENE 1-NONANAL DIISOBUTYL-KETONE 2-NONANONE 5-NONANONE N-NONANOIC-ACID N-BUTYL-VALERATE N-OCTYL-FORMATE N-HEPTYL-ACETATE TRIACETONE-ALCOHOL DPG-MONOMETHYL-ETHER-ACETATE N-NONANE 2,2,3-TRIMETHYLHEXANE 2,2,4-TRIMETHYLHEXANE 2,2,5-TRIMETHYLHEXANE 3,3-DIETHYLPENTANE 2,2,3,3-TETRAMETHYLPENTANE 2,2,3,4-TETRAMETHYLPENTANE 2,2,4,4-TETRAMETHYLPENTANE 2,3,3,4-TETRAMETHYLPENTANE 2-METHYLOCTANE 3-METHYLOCTANE 4-METHYLOCTANE 2,4,4-TRIMETHYLHEXANE 2,2-DIMETHYLHEPTANE 2,6-DIMETHYLHEPTANE 2,2-DIMETHYL-3-ETHYLPENTANE 2,4-DIMETHYL-3-ETHYLPENTANE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

X X X X X X X X X X X X

X X X X X X X X X

Physical Property Data 11.1

Databanks 1-51

Available in Databank Alias

C9H20-E5 C9H20O-D1 C9H20O-D2 C9H20O-E1 C9H20O3 C9H20O4 C9H20S C9H20S-D1 C9H21N-D1 C9H21N-D2 C9H4O5 C9H6N2O2 C9H6N2O2-D1 C9H6O6 C9H7N-D1 C9H7N-D2 C9H7NO C9H8 C9H8O C9H8O2 C9H8O4

Name
3-ETHYLHEPTANE 2,6-DIMETHYL-4-HEPTANOL 1-NONANOL 2-NONANOL DPG-N-PROPYL-ETHER TRIPROPYLENE-GLYCOL N-NONYL-MERCAPTAN TERT-NONYL-MERCAPTAN N-NONYLAMINE TRIPROPYLAMINE TRIMELLITIC-ANHYDRIDE TOLUENE-DIISOCYANATE 2,6-TOLUENE-DIISOCYANATE TRIMELLITIC-ACID ISOQUINOLINE QUINOLINE 8-HYDROXYQUINOLINE INDENE 2-METHYLBENZOFURAN CINNAMIC-ACID ACETYLSALICYLIC-ACID

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X X X X X X X

X X X X X

Pure Component Databanks: C10

Available in Databank Alias

C10H10-D1 C10H10-D2 C10H10-D3 C10H10O4-D1 C10H10O4-D2 C10H10O4-D3 C10H11NO2 C10H12 C10H12-D0 C10H12-E1 C10H12-E2 C10H12-E3 C10H12O C10H12O2 C10H12O4 C10H14-1 C10H14-2 C10H14-3 C10H14-4 C10H14-5 C10H14-6

Name
M-DIVINYLBENZENE 1-METHYLINDENE 2-METHYLINDENE O-DIMETHYL-PHTHALATE DIMETHYL-TEREPHTHALATE DIMETHYL-ISOPHTHALATE ACETOACETANILIDE 1,2,3,4-TETRAHYDRONAPHTHALENE DICYCLOPENTADIENE 2-PHENYLBUTENE-1 CIS-2-PHENYLBUTENE-2 TRANS-2-PHENYLBUTENE-2 ANETHOLE N-PROPYL-BENZOATE DIALLYL-MALEATE N-BUTYLBENZENE ISOBUTYLBENZENE SEC-BUTYLBENZENE TERT-BUTYLBENZENE 1-METHYL-2-ISOPROPYLBENZENE 1-METHYL-3-ISOPROPYLBENZENE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X

X X X X X X

1-52 Databanks

Physical Property Data 11.1

Available in Databank Alias

C10H14-7 C10H14-8 C10H14-9 C10H14-D1 C10H14-D2 C10H14-D3 C10H14-E1 C10H14-E10 C10H14-E2 C10H14-E3 C10H14-E4 C10H14-E5 C10H14-E6 C10H14-E7 C10H14-E8 C10H14-E9 C10H14O C10H14O2 C10H14O5 C10H15N C10H15N-E1 C10H15N-E2 C10H16-D1 C10H16-D2 C10H16-D3 C10H16-D4 C10H16-D5 C10H16-E1 C10H16-E2 C10H16-E3 C10H16-E4 C10H16-E5 C10H16N2O8 C10H16O C10H16O4 C10H16O4-D1 C10H18-1 C10H18-2 C10H18-D1 C10H18O4 C10H19N C10H19O6PS2 C10H20-1 C10H20-2

Name

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-METHYL-4-ISOPROPYLBENZENE X 1,4-DIETHYLBENZENE X 1,2,4,5-TETRAMETHYLBENZENE X M-DIETHYLBENZENE X O-DIETHYLBENZENE X 1,2-DIMETHYL-3-ETHYLBENZENE X 2-ETHYL-M-XYLENE X 1-METHYL-4-N-PROPYLBENZENE X 2-ETHYL-P-XYLENE X 4-ETHYL-M-XYLENE X 4-ETHYL-O-XYLENE X 5-ETHYL-M-XYLENE X 1,2,3,5-TETRAMETHYL-BENZENE X 1,2,3,4-TETRAMETHYL-BENZENE X 1-METHYL-2-N-PROPYLBENZENE X 1-METHYL-3-N-PROPYLBENZENE X P-TERT-BUTYLPHENOL X P-TERT-BUTYLCATECHOL X 2-ACETOACETOXY-ETHYLX METHACRYLAT N-BUTYLANILINE X N,N-DIETHYLANILINE X 2,6-DIETHYLANILINE X D-LIMONENE X ALPHA-PINENE X BETA-PINENE X TERPINOLENE X ADAMANTANE X CAMPHENE X ALPHA-PHELLANDRENE X BETA-PHELLANDRENE X ALPHA-TERPINENE X GAMMA-TERPINENE X ETHYLENEDIAMINETETRAACETIC-ACID X CAMPHOR X DIPROPYL-MALEATE X DIMETHYL-1,4-CYCLOHEXANEDICARBOX X CIS-DECALIN X TRANS-DECALIN X 1-DECYNE X SEBACIC-ACID X CAPRYLONITRILE X MALATHION X N-BUTYLCYCLOHEXANE X ISOBUTYLCYCLOHEXANE X

X X

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X X X X X X X X X X X X X

X X X

X X

X X X X

Physical Property Data 11.1

Databanks 1-53

Available in Databank Alias

C10H20-3 C10H20-4 C10H20-5 C10H20-D1 C10H20-D2 C10H20-D3 C10H20-D4 C10H20-D5 C10H20-D6 C10H20O C10H20O-D1 C10H20O2 C10H20O2-D1 C10H20O2-D2 C10H20O2-D3 C10H20O2-D4 C10H20O2-D5 C10H20O4 C10H22-1 C10H22-2 C10H22-3 C10H22-4 C10H22-D1 C10H22-D2 C10H22-D3 C10H22-D4 C10H22-D5 C10H22-E1 C10H22-E2 C10H22-E3 C10H22-E4 C10H22-E5 C10H22O C10H22O-D0 C10H22O-D1 C10H22O2 C10H22O3-D1 C10H22O3-E1 C10H22O4 C10H22O4-D1 C10H22O5 C10H22S C10H22S-D1

Name

P11 P10 P93 P856PCD

X X X X X X X X X X X X X

SEC-BUTYLCYCLOHEXANE X TERT-BUTYLCYCLOHEXANE X 1-DECENE X CIS-2-DECENE X TRANS-2-DECENE X 1,1-DIETHYLCYCLOHEXANE X 1,2,3,4-TETRAMETHYLCYCLOHEXANE X 2-METHYL-1-NONENE X 8-METHYL-1-NONENE X 1-DECANAL X L-MENTHOL X P-MENTHANE-HYDROPEROXIDE X N-DECANOIC-ACID X 2-ETHYLHEXYL-ACETATE X ISOPENTYL-ISOVALERATE X N-OCTYL-ACETATE X N-NONYL-FORMATE X DIGLYCOL-MONOBUTYL-ETHERX ACETATE N-DECANE X 3,3,5-TRIMETHYLHEPTANE X 2,2,3,3-TETRAMETHYLHEXANE X 2,2,5,5-TETRAMETHYLHEXANE X 2,3-DIMETHYLOCTANE X 2,4-DIMETHYLOCTANE X 2,5-DIMETHYLOCTANE X 2,6-DIMETHYLOCTANE X 2,7-DIMETHYLOCTANE X 2,2-DIMETHYL-OCTANE X 2-METHYLNONANE X 3-METHYLNONANE X 4-METHYLNONANE X 5-METHYLNONANE X 1-DECANOL X ISODECANOL X DI-N-PENTYL-ETHER X ETHYLENE-GLYCOL-2-ETHYLHEXYL-ETH X 2-2-HEXOXYETHOXY-ETHANOL X DIPROPYLENE-GLYCOL-T-BUTYL-ETHER X TRIPROPYLENE-GLYCOL-MONOMETHYL- X E TRIETHYLENE-GLYCOL-BUTYL-ETHER X TETRAETHYLENE-GLYCOL-DIMETHYL- X ET N-DECYL-MERCAPTAN X ETHYL-N-OCTYL-SULFIDE X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

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X X X

X X X X

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X X

1-54 Databanks

Physical Property Data 11.1

Available in Databank Alias

C10H23N C10H23N-D1 C10H24N2 C10H28N6 C10H30SI4O3 C10H30SI5O5 C10H6O8 C10H7BR C10H7CL C10H8 C10H9N

Name
N-DECYLAMINE DIAMYLAMINE N,N-DI-TERT-BUTYLETHYLENEDIAMINE PENTAETHYLENE-HEXAMINE DECAMETHYLTETRASILOXANE DECAMETHYLCYCLOPENTASILOXANE PYROMELLITIC-ACID 1-BROMONAPHTHALENE 1-CHLORONAPHTHALENE NAPHTHALENE QUINALDINE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X X X X X

Pure Component Databanks: C11

Available in Databank Alias

C11H10-1 C11H10-2 C11H12 C11H14O2 C11H16 C11H16-D1 C11H16-D2 C11H16O C11H20O2 C11H22-1 C11H22-2 C11H22O C11H22O2 C11H22O2-D1 C11H22O2-D2 C11H22O2-D3 C11H24 C11H24O C11H24S C11H25N

Name
1-METHYLNAPHTHALENE 2-METHYLNAPHTHALENE P-ISOPROPENYLSTYRENE BUTYL-BENZOATE N-PENTYLBENZENE 1-ETHYL-2-ISOPROPYLBENZENE PENTAMETHYLBENZENE P-TERT-AMYLPHENOL 2-ETHYLHEXYL-ACRYLATE N-HEXYLCYCLOPENTANE 1-UNDECENE 1-UNDECANAL N-NONYL-ACETATE N-DECYL-FORMATE METHYL-DECANOATE N-UNDECANOIC-ACID N-UNDECANE 1-UNDECANOL UNDECYL-MERCAPTAN UNDECYLAMINE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X

X X X X X X

X X X

Pure Component Databanks: C12

Available in Databank Alias

C12H10 C12H10-D0 C12H10N2O2-A C12H10N2O2-B C12H10O C12H11N C12H11N-D1 C12H11N3-E1

Name
DIPHENYL ACENAPHTHENE O-NITRODIPHENYLAMINE P-NITRODIPHENYLAMINE DIPHENYL-ETHER DIPHENYLAMINE P-AMINODIPHENYL P-AMINOAZOBENZENE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

Physical Property Data 11.1

Databanks 1-55

Available in Databank Alias

C12H11N3-E2 C12H12-E1 C12H12-E2 C12H12-E3 C12H12-E4 C12H12N2-D1 C12H12N2-D2 C12H12N2-D3 C12H14 C12H14O4 C12H14O6 C12H16 C12H16-D1 C12H16-D2 C12H18 C12H18-D1 C12H18-D2 C12H18-D3 C12H18-D4 C12H18-D5 C12H18-D6 C12H18-D7 C12H18-D8 C12H18O2 C12H18O2-D1 C12H20O C12H20O4 C12H22 C12H22O11 C12H23N C12H24-1 C12H24-2 C12H24-D1 C12H24-D2 C12H24O C12H24O2 C12H24O2-E1 C12H24O3 C12H26 C12H26-D1 C12H26O-1 C12H26O-2 C12H26O3 C12H26S C12H26S-E1

Name

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1,3-DIPHENYLTRIAZENE X 2,6-DIMETHYLNAPHTHALENE X 2,7-DIMETHYLNAPHTHALENE X 1-ETHYLNAPHTHALENE X 2-ETHYLNAPHTHALENE X P-AMINODIPHENYLAMINE X HYDRAZOBENZENE X BENZIDINE X 1,2,3-TRIMETHYLINDENE X DIETHYL-PHTHALATE X BIS-2-HYDROXYETHYL-TEREPHTHALATE X CYCLOHEXYLBENZENE X P-TERT-BUTYLSTYRENE X 4-ISOBUTYLSTYRENE X 1,3,5-TRIETHYLBENZENE X M-DIISOPROPYLBENZENE X P-DIISOPROPYLBENZENE X N-HEXYLBENZENE X P-TERT-BUTYL-ETHYLBENZENE X 1,5,9-CYCLODODECATRIENE X 1,2,4-TRIETHYLBENZENE X HEXAMETHYLBENZENE X 1,2,3-TRIETHYLBENZENE X M-DIISOPROPYL-BENZENE-HYDROPEROX X P-DIISOPROPYLBENZ-HYDROPEROXIDE X 2-CYCLOHEXYL-CYCLOHEXANONE X DIBUTYL-MALEATE X BICYCLOHEXYL X SUCROSE X DICYCLOHEXYLAMINE X N-HEPTYLCYCLOPENTANE X 1-DODECENE X CIS-2-DODECENE X TRANS-2-DODECENE X 1-DODECANAL X N-DODECANOIC-ACID X N-DECYL-ACETATE X 2,2,4-TM-1,3-PD-MONOISOBUTYNATE X N-DODECANE X 3-METHYLUNDECANE X DIHEXYLETHER X DODECANOL X DIETHYLENE-GLYCOL-DI-N-BUTYL-ETH X N-DODECYL-MERCAPTAN X TERT-DODECYL-MERCAPTAN X

X X X

X X X X X X X X X

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X X X X X X X X X

X X

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X X X

1-56 Databanks

Physical Property Data 11.1

Available in Databank Alias

C12H27BO3 C12H27N C12H27N-D0 C12H36SI5O4 C12H36SI6O6 C12H6N2O2 C12H8 C12H8O C12H8O4 C12H8S C12H9N C12H9N3O4

Name
TRI-N-BUTYL-BORATE TRIBUTYLAMINE DODECYLAMINE DODECAMETHYLPENTASILOXANE DODECAMETHYLCYCLOHEXASILOXANE 1,5-NAPHTHALENE-DIISOCYANATE ACENAPHTHALENE DIBENZOFURAN 2,6-NAPHTHALENEDICARBOXYLIC-ACID DIBENZOTHIOPHENE DIBENZOPYRROLE 4,4-DINITRODIPHENYLAMINE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X

Pure Component Databanks: C15

Available in Databank Alias

C15H10N2O2 C15H12 C15H16O C15H16O2 C15H18 C15H24 C15H24O-D1 C15H24O-D2 C15H30-1 C15H30-2 C15H30O2 C15H32 C15H32O C15H33N

Name
DIPHENYLMETHANE-4,4-DIISOCYANATE 1-PHENYLINDENE P-CUMYLPHENOL BISPHENOL-A 1-N-PENTYLNAPHTHALENE N-NONYLBENZENE 2,6-DI-TERT-BUTYL-P-CRESOL NONYLPHENOL N-DECYLCYCLOPENTANE 1-PENTADECENE PENTADECANOIC-ACID N-PENTADECANE 1-PENTADECANOL TRIAMYLAMINE

P11 P10 P93 P856PCD

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Pure Component Databanks: C16

Available in Databank Alias

C16H10-D1 C16H10-D2 C16H12 C16H18 C16H20 C16H22O4 C16H22O4-D1 C16H24 C16H26 C16H26-D1

Name
FLUORANTHENE PYRENE 1-PHENYLNAPHTHALENE 1-4-ETHYLPHENYL-2-PHENYLETHANE 1-N-HEXYLNAPHTHALENE DIBUTYL-O-PHTHALATE DIISOBUTYL-PHTHALATE 1-N-HEXYL-1,2,3,4-TETRAHYDRONAPH N-DECYLBENZENE PENTAETHYLBENZENE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-58 Databanks

Physical Property Data 11.1

Available in Databank Alias

C16H32-1 C16H32-2 C16H32O2 C16H34 C16H34-D1 C16H34O C16H34O-D1 C16H34S C16H48SI7O6

Name
N-DECYLCYCLOHEXANE 1-HEXADECENE N-HEXADECANOIC-ACID N-HEXADECANE 2,2,4,4,6,8,8-HEPTAMETHYLNONANE 1-HEXADECANOL DI-N-OCTYL-ETHER DI-N-OCTYL-SULFIDE HEXADECAMETHYLHEPTASILOXANE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: C17

Available in Databank Alias

C17H28 C17H34 C17H34-D1 C17H34O2 C17H34O2-D1 C17H36 C17H36O

Name
N-UNDECYLBENZENE N-DODECYLCYCLOPENTANE 1-HEPTADECENE N-HEPTADECANOIC-ACID ISOPROPYL-MYRISTATE N-HEPTADECANE HEPTADECANOL

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X

X X

Pure Component Databanks: C18

Available in Databank Alias

C18H12 C18H12-D1 C18H12-D2 C18H13N3O4 C18H14-1 C18H14-2 C18H14-3 C18H15O4P C18H15P C18H15PO C18H16N2 C18H20 C18H22 C18H22O2 C18H30 C18H30-D1 C18H30O2 C18H32O2 C18H34O2 C18H34O4-D1 C18H34O4-D2 C18H36-1 C18H36-2

Name
CHRYSENE BENZANTHRACENE NAPHTHACENE 4,4-DINITROTRIPHENYLAMINE O-TERPHENYL M-TERPHENYL P-TERPHENYL TRIPHENYL-PHOSPHATE TRIPHENYLPHOSPHINE TRIPHENYLPHOSPHINE-OXIDE N-N-DIPHENYL-P-PHENYLENEDIAMINE 2,4-DIPHENYL-4-METHYLPENTENE-1 2,3-DIMETHYL-2,3-DIPHENYLBUTANE DICUMYLPEROXIDE N-DODECYLBENZENE HEXAETHYLBENZENE LINOLENIC-ACID LINOLEIC-ACID OLEIC-ACID DIBUTYL-SEBACATE DIHEXYL-ADIPATE 1-OCTADECENE N-TRIDECYLCYCLOPENTANE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X

X X X X X X X X X

X X X

X X X X X

X X

Physical Property Data 11.1

X X X X X X X X X

X X X X X X

1-60 Databanks

Physical Property Data 11.1

Pure Component Databanks: C21+

Available in Databank Alias

C21H21O4P C21H36 C21H40O4 C21H42 C21H44 C22H34O4 C22H38 C22H42O4 C22H42O4-D1 C22H44O2 C22H46 C23H40 C23H48 C24H38O4 C24H38O4-D1 C24H38O4-D2 C24H42 C24H42O C24H50 C24H51N C25H20 C25H52 C26H20 C26H22 C26H42O4 C26H42O4-D1 C26H54 C27H46O C27H56 C28H46O4 C28H46O4-D1 C28H58 C29H50O C29H60 C30H48O6 C30H50O4 C30H62 C30H62-D1 C32H66 C36H74 C39H72O5 C57H104O6

Name
TRI-O-CRESYL-PHOSPHATE N-PENTADECYLBENZENE MONOOLEIN N-HEXADECYLCYCLOPENTANE N-HENEICOSANE DIHEPTYL-PHTHALATE N-HEXADECYLBENZENE DI-2-ETHYLHEXYL-ADIPATE DIOCTYLADIPATE N-BUTYL-STEARATE N-DOCOSANE N-HEPTADECYLBENZENE N-TRICOSANE DIOCTYL-PHTHALATE DIISOOCTYL-PHTHALATE DIOCTYL-TEREPHTHALATE N-OCTADECYLBENZENE DINONYLPHENOL N-TETRACOSANE TRI-N-OCTYLAMINE TETRAPHENYLMETHANE N-PENTACOSANE TETRAPHENYLETHYLENE 1,1,2,2-TETRAPHENYLETHANE DI-N-NONYL-PHTHALATE DIISONONYL-PHTHALATE N-HEXACOSANE BETA-CHOLESTEROL N-HEPTACOSANE DIISODECYL-PHTHALATE DI-N-DECYL-PHTHALATE N-OCTACOSANE SITOSTEROL N-NONACOSANE TRI-N-HEPTYL-TRIMELLITATE DI-N-UNDECYL-PHTHALATE N-TRIACONTANE SQUALANE N-DOTRIACONTANE N-HEXATRIACONTANE DIOLEIN TRIOLEIN

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X

X X X X

Physical Property Data 11.1

Databanks 1-61

Pure Component Databanks: Ca

Available in Databank Alias

CA CA(OH)2 CACL2 CACL2O2 CACO3 CAF2 CAO CASO4

Name
CALCIUM CALCIUM-HYDROXIDE CALCIUM-CHLORIDE CALCIUM-HYPOCHLORITE CALCIUM-CARBONATE-CALCITE CALCIUM-FLUORIDE CALCIUM-OXIDE CALCIUM-SULFATE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: Cl

Available in Databank Alias

CL2 CLH4NO CLHO3S CLO2 CLO3F

Name
CHLORINE HYDROXYLAMINE-HYDROCHLORIDE CHLOROSULFONIC-ACID CHLORINE-DIOXIDE PERCHLORYL-FLUORIDE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X

Pure Component Databanks: Fe

Available in Databank Alias

FE FE2O3 FECL2 FECL3 FEO FESO4

Name
IRON HEMATITE FERROUS-CHLORIDE FERRIC-CHLORIDE FERROUS-OXIDE FERROUS-SULFATE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X

X X

Pure Component Databanks: H

Available in Databank Alias

H2 H2-PARA H2O H2O2 H2S H2SE H2SO4 H3BO3 H3N H3NO H3NO3S H3PO2 H3PO3 H3PO4 H4N2 HBR HCL

Name
HYDROGEN HYDROGEN-PARA WATER HYDROGEN-PEROXIDE HYDROGEN-SULFIDE HYDROGEN-SELENIDE SULFURIC-ACID HYDROGEN-ORTHOBORATE AMMONIA HYDROXYLAMINE SULFAMIC-ACID HYPOPHOSPHOROUS-ACID PHOSPHOROUS-ACID ORTHOPHOSPHORIC-ACID HYDRAZINE HYDROGEN-BROMIDE HYDROGEN-CHLORIDE

P11 P10 P93 P856PCD

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X

1-64 Databanks

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

Pure Component Databanks: Other Elements

Available in Databank Alias

AG AIR AR AS AS2O3 ASH3 BACO3 BE BI BR2 CRO3 CUCL CUCL2

Name
SILVER AIR ARGON ARSENIC ARSENIC-TRIOXIDE ARSINE BARIUM-CARBONATE BERYLLIUM BISMUTH BROMINE CHROMIUM-TRIOXIDE CUPROUS-CHLORIDE COPPER-DICHLORIDE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X

Physical Property Data 11.1

Databanks 1-65

Available in Databank Alias

CUSO4 D2 D2O F2 FHO3S GACL3 GE GEH4 HE-3 HE-4 HG I2 KR LI LIH2PO4 LII MG(NO3)2 MGO MGSO4 NE SBCL3 SELEXOL TICL3 TICL4 TIO2 V VCL3O VCL4 XE ZN ZNO ZNSO4

Name
COPPER-SULFATE DEUTERIUM DEUTERIUM-OXIDE FLUORINE FLUOROSULFONIC-ACID GALLIUM-TRICHLORIDE GERMANIUM GERMANIUM-TETRAHYDRIDE HELIUM-3 HELIUM-4 MERCURY IODINE KRYPTON LITHIUM MONOLITHIUM-PHOSPHATE LITHIUM-IODIDE MAGNESIUM-NITRATE MAGNESIUM-OXIDE MAGNESIUM-SULFATE NEON ANTIMONY-TRICHLORIDE SELEXOL TITANIUM-TRICHLORIDE TITANIUM-TETRACHLORIDE TITANIUM-DIOXIDE-RUTILE VANADIUM VANADIUM-OXYTRICHLORIDE VANADIUM-TETRACHLORIDE XENON ZINC ZINC-OXIDE ZINC-SULFATE

P11 P10 P93 P856PCD

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X X X X X X X

X X X X X X X X X X X X X

X X

Pure Component Databanks: Heating Fluids

Available in Databank Alias

CACL2-15 CACL2-25 CALFLO-AF CALFLO-HTF CHEM550 DEGLY-20 DEGLY-40 DEGLY-60 DEGLY-80 DEPG

Name
CALCIUM-CHLORIDE-15-WT-% CALCIUM-CHLORIDE-25-WT% CALFLO-AF CALFLO-HTF CHEMTHERM-550 DIETHLENE-GLYCOL-20-WT-% DIETHYLENE-GLYCOL-40-WT-% DIETHYLENE-GLYCOL-60-WT-% DIETHLENE-GLYCOL-80-WT-% DIMETHYL-ETHER-POLYETHYLENE-

P11 P10
X X X X X X X X X X X X X X X X X X X

1-66 Databanks

Physical Property Data 11.1

Available in Databank Alias

DOWA DOWG DOWJ EGLY-20 EGLY-40 EGLY-60 MARLO-S MBL603 MBL605 MBLLIGHT PGLY-20 PGLY-60 R123 R502 R503 SHELL15 SHELL33 SYL-XLT SYL800 SYN350 TEGLY-40 TEGLY-80 TEGLY-L THERM44 THERM55 THERM550 THERM60 THERM600 THERM66 THERM77 THERM800 THERMFG1 THERMFR0 THERMFR1 THERMFR2 THERMFR3 THERMVP1

Name
GLYC DOWTHERM-A DOWTHERM-G DOWTHERM-J ETHYLENE-GLYCOL-20-WT-% ETHYLENE-GLYCOL-40-WT-% ETHYLENE-GLYCOL-60-WT-% MARLOTHERM-S MOBILTHERM-603 MOBILTHERM-605 MOBILTHERM-LIGHT PROPYLENE-GLYCOL-20-WT-% PROPYLENE-GLYCOL-60-WT-% REFRIGERANT-123 REFRIGERANT-502 REFRIGERANT-503 SHELL15 SHELL33 SYLTHERM-XLT SYLTHERM-800 SYNTREL-350 TRIETHYLENE-GLYCOL-40-WT-% TRIETHYLENE-GLYCOL-80-WT-% TEGLY-L THERMINOL-44 THERMINOL-55 THERMALANE-550-(FG-1) THERMINOL-60 THERMALANE-600 THERMINOL-66 THERMINOL-77 THERMALANE-800 THERMFG1 THERMINOL-FR-0 THERMINOL-FR-1 THERMINOL-FR-2 THERMINOL-FR-3 THERMINOL-VP-1

P11 P10
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-67

Aqueous Component Databanks

The tables below list the components present in the aqueous component databanks AQUEOUS and AQU92. Components beginning with: C1 Cl Gd Lu Pd Th
Aqueous Component Databank Parameters

C2 Co Ge Mg Pr Tl

C3 Al Cr H Mn Pt Tm

C4 Au Cs Hg N Rb U

C5 B Cu Ho Na S V

C6 Ba Dy I Nd Sc Y

C7 Br Er In Ni Sm Yb

C8 Ca Eu K O Sn Zn

C9 Cd Fe La P Sr Zr

C10 Ce Ga Li Pb Tb Other

C11+ Ag

The AQUEOUS and AQU92 databanks have data for the following parameters:
Parameter Name Description

ATOMNO

CHARGE CPAQ0 CPIG DGAQFM DGFORM DHAQFM DHFORM GMBPB GMBPD IONTYP MW NOATOM

PLXANT PRADII
1-68 Databanks

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ionic charge Aqueous phase heat capacity at infinite dilution Ideal gas heat capacity coefficients Aqueous free energy of formation at infinite dilution Standard free energy of formation Aqueous heat of formation at infinite dilution Standard heat of formation Bromley-Pitzer model ion-specific B parameter Bromley-Pitzer model ion-specific delta parameter Criss-Cobble ion type Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Antoine liquid vapor pressure coefficients Pauling ion radius

Physical Property Data 11.1

Parameter Name

Description

S025C VLBROC

Criss-Cobble absolute entropy at 25C Partial molal volume at infinite dilution

AQ = AQUEOUS Databank AQ9 = AQ92 Databank

Aqueous Component Databanks: Ag
Available in Databank Alias
AG(C2H4NO2) AG(C2H6NH)2+ AG(CH3CO2)2AG(CH3NH2)2+ AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2-3 AG(NH3)+ AG(NH3)2+ AG(NH3)2BR AG(NH3)2CL AG(NO2)2AG(OH)2AG(S2O3)2-3 AG(SCN)2AG(SCN)3-2 AG(SCN)4-3 AG+ AG+2 AG2(CH3CO2)+ AG2SO3 AGBR AGBR2AGBR3-2 AGC2H4+ AGCH3CO2 AGCL AGCL2AGCL3-2 AGCL3BR-3 AGCL4-3 AGCLBR3-3 AGF AGI AGI2AGI3-2 AGI4-3

Name
AG(NH2CH2COO) AG(C2H6NH)2+ AG(CH3COO)2AG(CH3NH2)2+ AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2--AG(NH3)+ AG(NH3)2+ AG(NH3)2BR AG(NH3)2CL AG(NO2)2AG(OH)2AG(S2O3)2--AG(CNS)2AG(CNS)3-AG(CNS)4--AG+ AG++ AG2(CH3COO)+ AG2SO3 SILVER-BROMIDE AGBR2AGBR3-AGC2H4+ SILVER-ACETATE SILVER-CHLORIDE AGCL2AGCL3-AGBRCL3--AGCL4--AGBR3CL--SILVER-FLUORIDE SILVER-IODIDE AGI2AGI3-AGI4---

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-69

Available in Databank Alias

AGNO3 AGOH AGSCN AGSO3AGSO4-

Name
SILVER-NITRATE SILVER-HYDROXIDE SILVER-THIOCYANATE AGSO3AGSO4-

AQ AQ9
X X X X X X X X X X

Aqueous Component Databanks: Al

Available in Databank Alias

AL(AC)+2 AL(AC)2+ AL(OH)2+ AL(OH)4AL(SO4)2AL+3 ALF+2 ALF2+ ALF3 ALF4ALF5-2 ALF6-3 ALO2ALOH+2 ALSO4+

Name
ALCH3COO+2 AL(CH3COO)2+ AL(OH)2+ AL(OH)4AL(SO4)2AL+++ ALF++ ALF2+ ALUMINIUM-FLUORIDE ALF4ALF5-ALF6--ALO2ALOH++ ALSO4+

AQ AQ9
X X X X X X X X X X X X X X X

X X X X X X X X X X X X

Aqueous Component Databanks: Au

Available in Databank Alias

AU(AC) AU(AC)2AU(CN)2AU(OH)3 AU(SCN)2AU(SCN)4AU(SCN)5-2 AU(SCN)6-3 AU+ AU+3 AUBR2AUBR4AUCL2AUCL4AUO3-3

BRBR2 BR2CLBR3BR5BRI2BROBRO3-

Name
BRBROMINE BR2CLBR3BR5BRI2BROBRO3-

AQ AQ9
X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-71

AQ AQ9
X X X X X X X X X X X X X X X X X X

X X X X

Physical Property Data 11.1

Databanks 1-73

C6H13NO2-I C6H14-1 C6H14O-1 C6H15N-D2 C6H6 C6H6O C6H8O4-2 C6H9O4-

Name
ISOLEUCINE N-HEXANE 1-HEXANOL N-HEXYLAMINE BENZENE PHENOL ADIPATE H-ADIPATE

AQ AQ9
X X X X X X X X

Aqueous Component Databanks: C7

Available in Databank Alias

C7H10O4-2 C7H11O4C7H12-D1 C7H12O4-D1 C7H13O3C7H14-7 C7H14O-D1 C7H14O-D2 C7H14O2-D3 C7H14O3-1 C7H15COOC7H16-1 C7H16O C7H17N C7H5O2C7H6O2 C7H8

Name
PIMELATE H-PIMELATE 1-HEPTYNE PIMELIC-ACID 2-HYDROXYHEPTANOATE 1-HEPTENE 1-HEPTANAL 2-HEPTANONE N-HEPTANOIC-ACID 2-HYDROXYHEPTANOIC-ACID OCTANOATE N-HEPTANE 1-HEPTANOL 1-AMINOHEPTANE BENZOATE BENZOIC-ACID TOLUENE

AQ AQ9
X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: C8

Available in Databank Alias

C8H10-4 C8H12O4-2 C8H13O4C8H14-D1 C8H14O4-D1 C8H15O3C8H16-16 C8H16N2O3 C8H16O-E1 C8H16O-E2 C8H16O2-D3 C8H16O3-1 C8H18-1 C8H18O-1

Name
ETHYLBENZENE SUBERATE H-SUBERATE 1-OCTYNE SUBERIC-ACID 2-HYDROXYOCTANOATE 1-OCTENE LEUCYLGLYCINE 1-OCTANAL 2-OCTANONE N-OCTANOIC-ACID 2-HYDROXYOCTANOIC-ACID N-OCTANE 1-OCTANOL

AQ AQ9
X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-75

COC2O4 CO(AC)+ CO(AC)2 CO(AC)3CO(ALA)+ CO(ALA)2 CO(BUT)+ CO(BUT)2 CO(C2H4NO2)2 CO(C2O4)2-2 CO(FOR)+ CO(FOR)2 CO(GLYC)+ CO(GLYC)2 CO(LAC)+ CO(LAC)2 CO(NH3)+2 CO(NH3)5CL+2 CO(NH3)5NO2 CO(NH3)6+3 CO(NH3)6BR+2 CO(NH3)6CL+2 CO(NH3)6I+2 CO(NH3)6N3+2 CO(NH3)6SO4+ CO(PENT)+ CO(PENT)2 CO(PROP)+ CO(PROP)2

Name
COBALT-OXALATE COCH3COO+ CO(CH3COO)2 CO(CH3COO)3CO(C3H6NO2)+ CO(C3H6NO2)2 COCH3(CH2)2CO2+ CO(CH3CH2CH2CO2)2 CO(NH2CH2COO)2 CO(C2O4)2-COCHO2+ CO(CHO2)2 COCH3OCO2+ CO(CH3OCO2)2 COCH3CH2OCO2+ CO(CH3CH2OCO2)2 CO(NH3)++ CO(NH3)5CL++ CO(NH3)5NO2++ CO(NH3)6+3 CO(NH3)6BR++ CO(NH3)6CL++ CO(NH3)6I++ CO(NH3)6N3++ CO(NH3)6SO4+ COCH3(CH2)3CO2+ CO(CH3CH2CH2CH2CO2)2 COCH3CH2CO2+ CO(CH3CH2CO2)2

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X X

Physical Property Data 11.1

Databanks 1-79

X X

1-80 Databanks

Physical Property Data 11.1

Available in Databank Alias

CU(NH3)3+2 CU(NH3)4+2 CU(NH3)5+2 CU(P2O7)2-6 CU(PENT)+ CU(PENT)2 CU(PROP)+ CU(PROP)2 CU(SCN)2 CU(SCN)4-3 CU(SO3)2-3 CU(SO3)3-5 CU+ CU+2 CUBR+ CUC2H2O4 CUC2O4 CUCH3CO2+ CUCHO2+ CUCL+ CUCL2 CUCL2CUCL3-2 CUF+ CUN2H6P2O7-2 CUO2-2 CUP2O7-2 CUSCN+ CUSO3CUSO4

Name
CU(NH3)3++ CU(NH3)4++ CU(NH3)5++ CU(P2O7)2-6 CUCH3(CH2)3CO2+ CU(CH3CH2CH2CH2CO2)2 CUCH3CH2CO2+ CU(CH3CH2CO2)2 COPPER-THIOCYANATE CU(CNS)4-3 CU(SO3)2--CU(SO3)3-5 CU+ CU++ CUBR+ CU(CHO2)2 COPPER-OXALATE CUCH3COO+ CUHCOO+ CUCL+ COPPER-DICHLORIDE CUCL2CUCL3-CUF+ CU(NH3)2P2O7-2 CUO2-CUP2O7-CUCNS+ CUSO3COPPER-SULFATE

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Dy

Available in Databank Alias

DY(CH3CO2)2+ DY(CH3CO2)3 DY(SO4)2DY+3 DYCH3CO2+2 DYCL+2 DYCL2+ DYCL3-AQ DYCL4DYCO3+ DYF+2 DYF2+

Name
DY(CH3CO2)2+ DYSPROSIUM-TRIACETATE DY(SO4)2DY+3 DYCH3CO2++ DYCL+2 DYCL2+ DYSPROSIUM-CHLORIDE,AQ DYCL4DYCO3+ DYF+2 DYF2+

AQ AQ9
X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-81

Physical Property Data 11.1

Available in Databank Alias

EU(BUT)2 EU(BUT)2+ EU(FOR)+ EU(FOR)+2 EU(FOR)2 EU(FOR)2+ EU(GLY)+ EU(GLY)2 EU(GLYC)+ EU(GLYC)2 EU(LAC)+ EU(LAC)2 EU(PENT)+ EU(PENT)+2 EU(PENT)2+ EU(PROP)+ EU(PROP)+2 EU(PROP)2 EU(PROP)2+ EU(SO4)2EU+2 EU+3 EUCL+ EUCL+2 EUCL2+ EUCL2-AQ EUCL3EUCL3-AQ EUCL4EUCL4-2 EUCO3+ EUF+ EUF+2 EUF2 EUF2+ EUF3EUF3-AQ EUF4EUF4-2 EUH2PO4+2 EUHCO3+2 EUNO3+2 EUO+ EUO2EUO2H

Name
EU(CH3CH2CH2CO2)2 EU(CH3CH2CH2CO2)2+ EUCHO2+ EUCHO2+2 EU(CHO2)2 EU(CHO2)2+ EU(C2H4NO2)+ EU(C2H4NO2)2 EUCH3OCO2+ EU(CH3OCO2)2 EU(CH3CH2OCO2)+ EU(CH3CH2OCO2)2 EUCH3(CH2)3CO2+ EUCH3(CH2)3CO2+2 EU(CH3CH2CH2CH2CO2)2+ EUCH3CH2CO2+ EUCH3CH2CO2+2 EU(CH3CH2CO2)2 EU(CH3CH2CO2)2+ EU(SO4)2EU+2 EU+3 EUCL+ EUCL++ EUCL2+ EUCL2,AQ EUCL3EUROPIUM-CHLORIDE,AQ EUCL4EUCL4-2 EUCO3+ EUF+ EUF+2 EUF2,AQ EUF2+ EUF3EUROPIUM-FLUORIDE,AQ EUF4EUF4-2 EUH2PO4+2 EUHCO3+2 EUNO3+2 EUO+ EUO2EUO2H,AQ

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

Physical Property Data 11.1

Databanks 1-83

Available in Databank Alias

EUOH+2 EUSO4+

Name
EUOH+2 EUSO4+

AQ AQ9
X X X

Aqueous Component Databanks: Fe

Available in Databank Alias

FE(ALA)+ FE(ALA)2 FE(BUT)+ FE(BUT)2 FE(CH3COO)+ FE(CH3COO)2 FE(CN)6-3 FE(CN)6-4 FE(FOR)+ FE(FOR)2 FE(GLY)+ FE(GLY)2 FE(GLYC)+ FE(GLYC)2 FE(LAC)+ FE(LAC)2 FE(OH)2+ FE(OH)3 FE(OH)3FE(OH)4-2 FE(PENT)+ FE(PENT)2 FE(PROP)+ FE(PROP)2 FE(SO4)2FE+2 FE+3 FE2(OH)2+4 FEBR+2 FECL+ FECL+2 FECL2 FECL2+ FECL3 FECLO4+2 FEF+2 FEF2+ FEHPO4+ FEI+2 FEN3+2

Name
FE(C3H6NO2)+ FE(C3H6NO2)2 FECH3(CH2)2CO2+ FE(CH3CH2CH2CO2)2 FE(CH3COO)+ FE(CH3COO)2 FE(CN)6-3 FE(CN)6-4 FECHO2+ FE(CHO2)2 FE(C2H4NO2)+ FE(C2H4NO2)2 FECH3OCO2+ FE(CH3OCO2)2 FECH3CH2OCO2+ FE(CH3CH2OCO2)2 FE(OH)2+ IRON-TRIHYDROXIDE FE(OH)3FE(OH)4-FECH3(CH2)3CO2+ FE(CH3CH2CH2CH2CO2)2 FECH3CH2CO2+ FE(CH3CH2CO2)2 FE(SO4)2FE++ FE+++ FE2(OH)2+4 FEBR++ FECL+ FECL++ FERROUS-CHLORIDE FECL2+ FERRIC-CHLORIDE FECLO4++ FEF++ FEF2+ FEHPO4+ FEI++ FEN3++

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

GD(BUT)+2 GD(BUT)2+ GD(CH3CO2)2+ GD(CH3CO2)3 GD(FOR)+2 GD(FOR)2+ GD(PENT)+2 GD(PENT)2+ GD(PROP)+2 GD(PROP)2+ GD(SO4)2GD+3 GDCH3CO2+2 GDCL+2 GDCL2+ GDCL3-AQ GDCL4GDCO3+ GDF+2 GDF2+ GDF3-AQ GDF4GDH2PO4+2 GDHCO3+2 GDNO3+2 GDO+ GDO2GDO2H

Name
GDCH3(CH2)2CO2+2 GD(CH3CH2CH2CO2)2+ GD(CH3CO2)2+ GADOLINIUM-TRIACETATE GDCHO2+2 GD(CHO2)2+ GDCH3(CH2)3CO2+2 GD(CH3CH2CH2CH2CO2)2+ GDCH3CH2CO2+2 GD(CH3CH2CO2)2+ GD(SO4)2GD+3 GDCH3CO2++ GDCL+2 GDCL2+ GADOLINIUM-CHLORIDE,AQ GDCL4GDCO3+ GDF+2 GDF2+ GADOLINIUM-FLUORIDE,AQ GDF4GDH2PO4+2 GDHCO3+2 GDNO3+2 GDO+ GDO2GDO2H,AQ

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

Physical Property Data 11.1

Databanks 1-85

Available in Databank Alias

HG(SCN)2 HG(SCN)3HG(SCN)4-2 HG(SCN)BR HG(SCN)CL HG+2 HG2+2 HG2HC2O5HG2HP2O8-2 HG2HP2O8-3 HG2P2O7-2 HGBR+ HGBR2 HGBR3HGBR4-2 HGBRCL HGC2H4NO2+ HGC4H6O4 HGCH3COO+ HGCH5N+2 HGCL+ HGCL2 HGCL3HGCL4-2 HGCLC2H4NO2 HGCN+ HGF+ HGI+ HGI2 HGI2BR2-2 HGI3HGI3BR-2 HGI4-2 HGIBR HGIBR3-2 HGICL HGOH+ HGS2-2 HGSC4N4-2 HGSO4

Name
MERCURY-THIOCYANATE HG(CNS)3HG(CNS)4-2 HG(CNS)BR HG(CNS)CL HG++ HG2++ HG2(OH)C2O4HG2(OH)P2O7-HG2(OH)P2O7--HG2P2O7-HGBR+ MERCURY-DIBROMIDE HGBR3HGBR4-HGCLBR HG(NH2CH2COO)+ HG(CH3COO)2 HGCH3COO+ HG(CH3NH2)++ HGCL+ MERCURY-DICHLORIDE HGCL3HGCL4-HGCL(NH2CH2COO) HGCN+ HGF+ HGI+ MERCURY-DIIODIDE HGBR2I2-HGI3HGBRI3-HGI4-HGBRI HGIBR3-HGCLI HGOH+ HGS2-HG(CNS)(CN)3-MERCURY-SULFATE

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Ho

Available in Databank Alias

HO(CH3CO2)2+ HO(CH3CO2)3

Name
HO(CH3CO2)2+ HOLMIUM-TRIACETATE

AQ AQ9
X X X X

Physical Property Data 11.1

Databanks 1-89

Databanks 1-91

Databanks 1-93

NA(AC) NA(AC)2NA(BUT) NA(BUT)2NA(FOR)2NA(GLYC) NA(GLYC)2NA(LAC) NA(LAC)2NA(PENT) NA(PENT)2NA(PROP) NA(PROP)2NA+ NA2P2O7-2

Name
NACH3COO NA(CH3COO)2NACH3(CH2)2CO2 NA(CH3CH2CH2CO2)2NA(CH02)2NA(CH3OCO2) NA(CH3OCO2)2NACH3CH2OCO2 NA(CH3CH2OCO2)2NACH3(CH2)3CO2 NA(CH3CH2CH2CH2CO2)2NACH3CH2CO2 NA(CH3CH2CO2)2NA+ NA2P2O7--

AQ AQ9
X X X X X X X X X X X X X X X

X X

Physical Property Data 11.1

Databanks 1-95

Available in Databank Alias

NAALO2 NABR NACHO2 NACL NACLO NACO3NAF NAHCO3 NAHP2O7-2 NAHSIO3 NAI NAOH NAS2O3NASO4-

Name
SODIUM-ALUMINATE SODIUM-BROMIDE SODIUM-FORMATE SODIUM-CHLORIDE SODIUM-HYPOCHLORITE NACO3SODIUM-FLUORIDE SODIUM-BICARBONATE NAHP2O7-NAHSIO3 SODIUM-IODIDE SODIUM-HYDROXIDE NAS2O3NASO4-

AQ AQ9
X X X X X X X X X X X X X X

X X X X

X X

Aqueous Component Databanks: Nd

Available in Databank Alias

ND(CH3CO2)2+ ND(CH3CO2)3 ND(SO4)2ND+3 NDCH3CO2+2 NDCL+2 NDCL2+ NDCL3-AQ NDCL4NDCO3+ NDF+2 NDF2+ NDF3-AQ NDF4NDH2PO4+2 NDHCO3+2 NDNO3+2 NDO+ NDO2NDO2H NDOH+2 NDSO4+

Name
ND(CH3CO2)2+ NEODYMIUM-TRIACETATE ND(SO4)2ND+3 NDCH3CO2++ NDCL+2 NDCL2+ NEODYMIUM-CHLORIDE,AQ NDCL4NDCO3+ NDF+2 NDF2+ NEODYMIUM-FLUORIDE,AQ NDF4NDH2PO4+2 NDHCO3+2 NDNO3+2 NDO+ NDO2NDO2H,AQ NDOH+2 NDSO4+

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Ni

Available in Databank Alias

P2O7-4 PH3 PH4+ PH4OH PO3F-2

Name
P2O7---PHOSPHINE PH4+ PH3.H2O PO3F--

AQ AQ9
X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-97

Available in Databank Alias

PO4-3

Name
PO4---

AQ AQ9
X X

Aqueous Component Databanks: Pb

Available in Databank Alias

PB(AC)3PB(ALA)+ PB(ALA)2 PB(BUT)+ PB(BUT)2 PB(CH3CO2)+ PB(CH3CO2)2 PB(CLO3)2 PB(GLY)+ PB(GLY)2 PB(GLYC)+ PB(GLYC)2 PB(LAC)+ PB(LAC)2 PB(OH)3PB(PENT)+ PB(PENT)2 PB(PROP)+ PB(PROP)2 PB(SCN)2 PB+2 PB3(OH)4+2 PB4(OH)4+4 PB6(OH)8+4 PBBR+ PBBR2 PBBR3PBBRO3+ PBC2H2O4 PBCL+ PBCL2 PBCL3PBCL4-2 PBCLO3+ PBF+ PBF2 PBHCO2+ PBI+ PBI2 PBI3PBI4-2

Name
PB(CH3COO)3PB(C3H6NO2)+ PB(C3H6NO2)2 PBCH3(CH2)2CO2+ PB(CH3CH2CH2CO2)2 PB(CH3CO2)+ LEAD-DIACETATE PB(CLO3)2 PB(C2H4NO2)+ PB(C2H4NO2)2 PBCH3OCO2+ PB(CH3OCO2)2 PBCH3CH2OCO2+ PB(CH3CH2OCO2)2 PB(OH)3PBCH3(CH2)3CO2+ PB(CH3CH2CH2CH2CO2)2 PBCH3CH2CO2+ PB(CH3CH2CO2)2 LEAD-THIOCYANATE PB++ PB3(OH)4++ PB4(OH)4+4 PB6(OH)8+4 PBBR+ LEAD-DIBROMIDE PBBR3PBBRO3+ PB(HCO2)2 PBCL+ LEAD-DICHLORIDE PBCL3PBCL4-PBCLO3+ PBF+ LEAD-DIFLUORIDE PBHCO2+ PBI+ LEAD-DIIODIDE PBI3PBI4--

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X X X X X X X X X X X X X X X

1-98 Databanks

Aqueous Component Databanks: Sc

Available in Databank Alias

SC(AC)+2 SC(AC)2+ SC(AC)3 SC(SEO4)2SC+3 SCBR+2 SCBR2+ SCCL+2

Name
SCCH3COO+2 SC(CH3COO)2+ SC(CH3COO)3 SC(SEO4)2SC+3 SCBR++ SCBR2+ SCCL++

AQ AQ9
X X X X X X X X

X X X X X

1-100 Databanks

Physical Property Data 11.1

Available in Databank Alias

SCCL2+ SCOH+2 SCSEO4+

Name
SCCL2+ SCOH++ SCSEO4+

AQ AQ9
X X X X X X

Aqueous Component Databanks: Sm

Available in Databank Alias

SM(CH3CO2)2+ SM(CH3CO2)3 SM(SO4)2SM+2 SM+3 SMCH3CO2+2 SMCL+2 SMCL2+ SMCL3-AQ SMCL4SMCO3+ SMF+2 SMF2+ SMF3-AQ SMF4SMH2PO4+2 SMHCO3+2 SMNO3+2 SMO+ SMO2SMO2H SMOH+2 SMSO4+

Name
SM(CH3CO2)2+ SAMARIUM-TRIACETATE SM(SO4)2SM++ SM+3 SMCH3CO2++ SMCL+2 SMCL2+ SAMARIUM-TRICHLORIDE,AQ SMCL4SMCO3+ SMF+2 SMF2+ SMF3,AQ SMF4SMH2PO4+2 SMHCO3+2 SMNO3+2 SMO+ SMO2SMO2H,AQ SMOH+2 SMSO4+

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Sn

Available in Databank Alias

SN(SO4)2 SN+2 SNF+ SNOH+ SNOHBR SNOHCL SNOOH+ SNOOHF SNSO4+2

Name
TIN-DISULFATE SN++ SNF+ SNOH+ SNOHBR SNOHCL SNOOH+ SNO(OH)F SNSO4++

AQ AQ9
X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Sr

Available in Databank Alias

SR(AC)+

Name
SRCH3COO+

AQ AQ9
X

Physical Property Data 11.1

Databanks 1-101

Available in Databank Alias

SR(AC)2 SR(ALA)+ SR(ALA)2 SR(BUT)+ SR(BUT)2 SR(FOR)+ SR(FOR)2 SR(GLY)+ SR(GLY)2 SR(GLYC)+ SR(GLYC)2 SR(LAC)+ SR(LAC)2 SR(PENT)+ SR(PENT)2 SR(PROP)+ SR(PROP)2 SR+2 SRCL+ SRCO3 SRF+ SROH+

Name
SR(CH3COO)2 SR(C3H6NO2)+ SR(C3H6NO2)2 SRCH3(CH2)2CO2+ SR(CH3CH2CH2CO2)2 SRCHO2+ SR(CHO2)2 SR(C2H4NO2)+ SR(C2H4NO2)2 SRCH3OCO2+ SR(CH3OCO2)2 SRCH3CH2OCO2+ SR(CH3CH2OCO2)2 SRCH3(CH2)3CO2+ SR(CH3CH2CH2CH2CO2)2 SRCH3CH2CO2+ SR(CH3CH2CO2)2 SR++ SRCL+ STRONTIUM-CARBONATE SRF+ SR(OH)+

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Tb

Available in Databank Alias

TB(AC)+2 TB(AC)2+ TB(AC)3 TB(SO4)2TB+3 TBCL+2 TBCL2+ TBCL3-AQ TBCL4TBCO3+ TBF+2 TBF2+ TBF3 TBF4TBH2PO4+2 TBHCO3+2 TBNO3+2 TBO+ TBO2TBO2H

Name
TBCH3COO+2 TB(CH3COO)2+ TB(CH3COO)3 TB(SO4)2TB+3 TBCL+2 TBCL2+ TERBIUM-TRICHLORIDE,AQ TBCL4TBCO3+ TBF+2 TBF2+ TBF3,AQ TBF4TBH2PO4+2 TBHCO3+2 TBNO3+2 TBO+ TBO2TBO2H,AQ

AQ AQ9
X X X X X X X X X X X X X X X X X X X X

X X

1-102 Databanks

Physical Property Data 11.1

Available in Databank Alias

TBOH+2 TBSO4+

Name
TBOH+2 TBSO4+

AQ AQ9
X X X

Available in Databank Alias

TM(AC)+2 TM(AC)2+ TM(AC)3 TM(SO4)2TM+3 TMCL+2 TMCL2+ TMCL3-AQ TMCL4TMCO3+ TMF+2 TMF2+ TMF3-AQ TMF4TMH2PO4+2 TMHCO3+2

Name
TMCH3COO+2 TM(CH3COO)2+ TM(CH3COO)3 TM(SO4)2TM+3 TMCL+2 TMCL2+ THULIUM-TRICHLORIDE,AQ TMCL4TMCO3+ TMF+2 TMF2+ THULIUM-TRIFLUORIDE,AQ TMF4TMH2PO4+2 TMHCO3+2

AQ AQ9
X X X X X X X X X X X X X X X X

X X

1-104 Databanks

Physical Property Data 11.1

Available in Databank Alias

TMNO3+2 TMO+ TMO2TMO2H TMOH+2 TMSO4+

Name
TMNO3+2 TMO+ TMO2TMO2H,AQ TMOH+2 TMSO4+

AQ AQ9
X X X X X X

Aqueous Component Databanks: U

Available in Databank Alias

U(AC)+2 U(AC)2+ U(AC)3 U(BUT)+2 U(BUT)2+ U(CO3)4-4 U(CO3)5-6 U(FOR)+2 U(FOR)2+ U(NO3)2+2 U(OH)4 U(OH)5U(PENT)+2 U(PROP)+2 U(PROP)2+ U(SCN)2+2 U(SO4)2 U+3 U+4 U2CO7(OH)3U3O10H4+2 U3O11H5+ U3O13H7U3O6(CO3)6-6 U4O15H7+ UBR+3 UCL+3 UF+3 UF2+2 UF3+ UF4 UF5UF6-2 UI+3 UNO3+3 (UO2)2OH+3

Name
UCH3COO+2 U(CH3COO)2+ U(CH3COO)3 UCH3(CH2)2CO2+2 U(CH3CH2CH2CO2)2+ U(CO3)4-4 U(CO3)5-6 UCHO2+2 U(CHO2)2+ U(NO3)2++ U(OH)4 U(OH)5UCH3(CH2)3CO2+2 UCH3CH2CO2+2 U(CH3CH2CO2)2+ U(SCN)2++ URANIUM-DISULFATE U+3 U+4 U2CO7(OH)3U3O10H4++ U3O11H5+ U3O13H7U3O6(CO3)6-6 U4O15H7+ UBR+3 UCL+3 UF+3 UF2++ UF3+ URANIUM-TETRAFLUORIDE UF5UF6-UI+3 UNO3+3 (UO2)2OH+3

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-105

Available in Databank Alias

(UO2OH)2+2 UO2(AC)+ UO2(AC)2 UO2(AC)3UO2(CO3)2-2 UO2(CO3)3-4 UO2(CO3)3-5 UO2(H2PO4)2 UO2(IO3)2 UO2(N3)2 UO2(N3)3UO2(N3)4-2 UO2(OH)2 UO2(OH)3UO2(OH)4-2 UO2(SCN)2 UO2(SCN)3UO2(SO4)2-2 UO2+ UO2+2 UO2BR+ UO2BRO3+ UO2CL+ UO2CL2 UO2CLO3+ UO2CO3 UO2F+ UO2F2 UO2F3UO2F4-2 UO2H2PO4+ UO2H3PO4+2 UO2H5P2O8+ UO2HPO4 UO2IO3+ UO2N3+ UO2NO3+ UO2OH+ UO2PO4UO2S2O3 UO2SCN+ UO2SO3 UO2SO4 UOH+3 USCN+3

Name
(UO2OH)2++ UO2CH3COO+ UO2(CH3COO)2 UO2(CH3COO)3UO2(CO3)2-UO2(CO3)3-4 UO2(CO3)3-5 UO2(H2PO4)2 UO2(IO3)2 UO2(N3)2 UO2(N3)3UO2(N3)4-UO2(OH)2 UO2(OH)3UO2(OH)4-UO2(SCN)2 UO2(SCN)3UO2(SO4)2-UO2+ UO2++ UO2BR+ UO2BRO3+ UO2CL+ URANIUM-DICHLORIDE-DIOXIDE UO2CLO3+ UO2CO3 UO2F+ URANIUM-DIFLUORIDE-DIOXIDE UO2F3UO2F4-UO2H2PO4+ UO2H3PO4++ UO2H5P2O8+ UO2HPO4 UO2IO3+ UO2N3+ UO2NO3+ UO2OH+ UO2PO4UO2S2O3 UO2SCN+ UO2SO3 URANIUM-SULFATE-DIOXIDE UOH+3 USCN+3

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1-106 Databanks

Physical Property Data 11.1

Available in Databank Alias

USO4+2

Name
USO4++

AQ AQ9
X X

Aqueous Component Databanks: V

Available in Databank Alias

V+2 V+3 VO+2 VO2+ VO3VOSCN+

Name
V++ V+++ VO++ VO2+ VO3VOSCN+

AQ AQ9
X X X X X X X X X X X X

Aqueous Component Databanks: Y

Available in Databank Alias

Y(AC)+2 Y(AC)2+ Y(AC)3 Y(C2O4)2Y(C2O4)3-3 Y(SO4)2Y+3 Y2(OH)2+4 YBR+2 YC2O4+ YCL+2 YNO3+2 YOH+2 YSCN+2 YSO4+

Name
YCH3COO+2 Y(CH3COO)2+ Y(CH3COO)3 Y(C2O4)2Y(C2O4)3-3 Y(SO4)2Y+3 Y2(OH)2+4 YBR++ YC2O4+ YCL++ YNO3++ YOH++ YCNS++ YSO4+

AQ AQ9
X X X X X X X X X X X X X X X

X X X X X X X X X X X X

Aqueous Component Databanks: Yb

Available in Databank Alias

YB(BUT)+2 YB(BUT)2+ YB(CH3CO2)2+ YB(CH3CO2)3 YB(FOR)+2 YB(FOR)2+ YB(PENT)+2 YB(PENT)2+ YB(PROP)+2 YB(PROP)2+ YB(SO4)2YB+2 YB+3 YBCH3CO2+2

Name
YBCH3(CH2)2CO2+2 YB(CH3CH2CH2CO2)2+ YB(CH3CO2)2+ YTTERBIUM-TRIACETATE YBCHO2+2 YB(CHO2)2+ YBCH3(CH2)3CO2+2 YB(CH3CH2CH2CH2CO2)2+ YBCH3CH2CO2+2 YB(CH3CH2CO2)2+ YB(SO4)2YB++ YB+3 YBCH3CO2++

AQ AQ9
X X X X X X X X X X X X X X

X X

X X X

Physical Property Data 11.1

Databanks 1-107

Available in Databank Alias

YBCL+2 YBCL2+ YBCL3-AQ YBCL4YBCO3+ YBF+2 YBF2+ YBF3 YBF4YBH2PO4+2 YBHCO3+2 YBNO3+2 YBO+ YBO2YBO2H YBOH+2 YBSO4+

Name
YBCL+2 YBCL2+ YBCL3,AQ YBCL4YBCO3+ YBF+2 YBF2+ YBF3,AQ YBF4YBH2PO4+2 YBHCO3+2 YBNO3+2 YBO+ YBO2YBO2H,AQ YBOH+2 YBSO4+

AQ AQ9
X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Zn

Available in Databank Alias

ZN(ALA)+ ZN(ALA)2 ZN(BUT)+ ZN(BUT)2 ZN(C2O4)2-2 ZN(CH3COO)3ZN(CH3COOH)+ ZN(CH3COOH)2 ZN(CHO2)2 ZN(CHO2)3ZN(CHO2)4-2 ZN(CN)4-2 ZN(FOR)+ ZN(GLY)+ ZN(GLY)2 ZN(GLYC)+ ZN(GLYC)2 ZN(LAC)+ ZN(LAC)2 ZN(N2H4)2+2 ZN(N2H4)3+2 ZN(N2H4)4+2 ZN(NH3)2+2 ZN(NH3)3+2 ZN(NH3)4+2

Name
ZN(C3H6NO2)+ ZN(C3H6NO3)2 ZNCH3(CH2)2CO2+ ZN(CH3CH2CH2CO2)2 ZN(C2O4)2-ZN(CH3COO)3ZN(CH3COO)+ ZN(CH3COO)2 ZINC-FORMATE ZN(CHO2)3ZN(CHO2)4-ZN(CN)4-ZNCHO2+ ZN(C2H4NO2)+ ZN(C2H4NO2)2 ZNCH3OCO2+ ZN(CH3OCO2)2 ZNCH3CH2OCO2+ ZN(CH3CH2OCO2)2 ZN(N2H4)2++ ZN(N2H4)3++ ZN(N2H4)4++ ZN(NH3)2++ ZN(NH3)3++ ZN(NH3)4++

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

X X X X X X

1-108 Databanks

Physical Property Data 11.1

Available in Databank Alias

ZN(OH)2 ZN(OH)3ZN(OH)4-2 ZN(OH)CL ZN(PENT)+ ZN(PENT)2 ZN(PROP)+ ZN(PROP)2 ZN(SCN)2 ZN(SCN)4-2 ZN+2 ZNBR+ ZNBR2 ZNBR3ZNC2O4 ZNCL+ ZNCL2 ZNCL3ZNCL4-2 ZNCLO4+ ZNF+ ZNI+ ZNI2 ZNI3ZNI4-2 ZNN2H4+2 ZNN3+ ZNN6 ZNNH3+2 ZNO2-2 ZNOH+ ZNSO4

Name
ZINC-HYDROXIDE ZN(OH)3ZN(OH)4-ZN(OH)CL ZNCH3(CH2)3CO2+ ZN(CH3CH2CH2CH2CO2)2 ZNCH3CH2CO2+ ZN(CH3CH2CO2)2 ZINC-THIOCYANATE ZN(CNS)4-ZN++ ZNBR+ ZINC-BROMIDE ZNBR3ZINC-OXALATE ZNCL+ ZINC-CHLORIDE ZNCL3ZNCL4-ZNCLO4+ ZNF+ ZNI+ ZINC-IODIDE ZNI3ZNI4-ZNN2H4++ ZNN3+ ZINC-AZIDE ZNNH3++ ZNO2-ZNOH+ ZINC-SULFATE

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X

Aqueous Component Databanks: Zr

Available in Databank Alias

ZR(OH)2+2 ZR(OH)3+ ZR(OH)4 ZR(SO4)2 ZR(SO4)3-2 ZR+4 ZROH+3 ZRSO4+2

Name
ZR(OH)2++ ZR(OH)3+ ZIRCONIUM-TETRAHYDROXIDE ZIRCONIUM-DISULFATE ZR(SO4)3-ZR+4 ZR(OH)+++ ZRSO4++

AQ AQ9
X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Databanks 1-109

Aqueous Component Databanks: Other Elements

Available in Databank Alias

AR ASO+ ASO2ASO3F-2 ASO4-3 BE(AC)+ BE(AC)2 BE+2 BEO2-2 BI(AC)+2 BI(AC)2+ BI(AC)3 FHE-4 KR MOO4-2 NBO2+ NBO3NE OSO4 RA(AC)+ RA(AC)2 RA+2 RERECL6-2 REO4RN RUO4 SB(OH)3 SB2S4-2 SBO+ SBO2SE-2 SEO3-2 SEO4-2 SIF6-2 SIO2 SIO4-4 TAO2+ TAO3TE(OH)3+ WO4-2 XE

Name
ARGON ASO+ ASO2ASO3F-ASO4--BECH3COO+ BE(CH3COO)2 BE++ BEO2-BICH3COO+2 BI(CH3COO)2+ BI(CH3COO)3 FHELIUM-4 KRYPTON MOO4-NBO2+ NBO3NEON OSMIUM-TETROXIDE RACH3COO+ RA(CH3COO)2 RA++ RERECL6-REO4RADON RUTHENIUM-TETROXIDE ANTIMONY-TRIHYDROXIDE SB2S4-SBO+ SBO2SE-SEO3-SEO4-SIF6-SILICON-DIOXIDE SIO4---TAO2+ TAO3TE(OH)3+ WO4-XENON

AQ AQ9
X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X X X X X

X X X X X X X X X X X X X X X X X X X

1-110 Databanks

Physical Property Data 11.1

Combust Component Databank

The COMBUST component databank contains data for these parameters:
Parameter Name Description

CPIG DGFORM DHFORM MW NATOM

Ideal gas heat capacity coefficients Standard free energy of formation Standard enthalpy of formation Molecular weight Vector containing numbers of C, H, O, N, S, F, Cl, Br, I, Ar and He atoms

The table below lists the components present in the COMBUST component databank.
Alias
AR BR BR2 C C-2 C-S C2H2 C2H4 C2N2 C3O2 CCL4 CH CH2 CH2CL2 CH2O CH3 CH3CL CH4 CHCL3 CHN CHO CL CL2 CN CNO CO CO2 COS CS2

Name
ARGON BROMINE-MONATOMIC-GAS BROMINE CARBON-GRAPHITE CARBON-DIATOMIC-GAS CARBON-MONOSULFIDE-GAS ACETYLENE ETHYLENE CYANOGEN CARBON-SUBOXIDE CARBON-TETRACHLORIDE METHYLIDYNE-GAS METHYLENE-GAS DICHLOROMETHANE FORMALDEHYDE METHYL-GAS METHYL-CHLORIDE METHANE CHLOROFORM HYDROGEN-CYANIDE FORMYL-GAS CHLORINE-MONATOMIC-GAS CHLORINE CYANO-GAS NCO-RADICAL CARBON-MONOXIDE CARBON-DIOXIDE CARBONYL-SULFIDE CARBON-DISULFIDE

Physical Property Data 11.1

Databanks 1-111

Alias
F F2 H H2 H2N H2O H2S H3N HBR HCL HE-4 HF HI HNO HO2 HS I I2 N N2 N2O NH NO NO2 O O2 O2S OH S2 SO

Name
FLUORINE-MONATOMIC-GAS FLUORINE HYDROGEN-MONATOMIC-GAS HYDROGEN AMIDOGEN WATER HYDROGEN-SULFIDE AMMONIA HYDROGEN-BROMIDE HYDROGEN-CHLORIDE HELIUM-4 HYDROGEN-FLUORIDE HYDROGEN-IODIDE NITROXYL HYDROPEROXYL HYDROGEN-MONOSULFIDE-GAS IODINE-MONATOMIC-GAS IODINE NITROGEN-MONATOMIC-GAS NITROGEN NITROUS-OXIDE IMIDOGEN-GAS NITRIC-OXIDE NITROGEN-DIOXIDE OXYGEN-MONATOMIC-GAS OXYGEN SULFUR-DIOXIDE HYDROXYL-GAS SULFUR-DIATOMIC-GAS SULFUR-MONOXIDE-GAS

1-112 Databanks

Physical Property Data 11.1

Ethylene Component Databank

The ETHYLENE component databank contains data for these parameters:
Property Description

SRKAIJ SRKBIJ SRKOMG SRKPC SRKTC

Binary interaction parameter for the SRK equation of state model Binary interaction parameter for the SRK equation of state model Acentric factor for the SRK equation of state Critical pressure for the SRK equation of state Critical temperature for the SRK equation of state

The table below lists the components present in the ETHYLENE component databank.
Alias
AR CCL2F2 CH4 CO CO2 C2H2 C2H4 C2H6 C3H4-1 C3H4-2 C3H6-2 C3H7NO C3H8 C4H10-1 C4H10-2 C4H4 C4H6-4 C4H8-1 C4H8-2 C4H8-3 C4H8-5 C5H10-1 C5H10-2 C5H12-1 C5H12-2 C5H6 C5H8 C5H8-1 C5H8-3

Name
ARGON DICHLORODIFLUOROMETHANE METHANE CARBON-MONOXIDE CARBON-DIOXIDE ACETYLENE ETHYLENE ETHANE PROPADIENE METHYL-ACETYLENE PROPYLENE N,N-DIMETHYLFORMAMIDE PROPANE N-BUTANE ISOBUTANE VINYLACETYLENE 1,3-BUTADIENE 1-BUTENE CIS-2-BUTENE TRANS-2-BUTENE ISOBUTYLENE CYCLOPENTANE 1-PENTENE N-PENTANE 2-METHYL-BUTANE CYCLOPENTADIENE CIS-1,3-PENTADIENE CYCLOPENTENE 1-TRANS-3-PENTADIENE

Physical Property Data 11.1

Databanks 1-113

Alias
C5H8-4 C5H8-6 C6H10-2 C6H12-1 C6H12-3 C6H14-1 C6H14-5 C6H6 C7H14-6 C7H14-7 C7H16-1 C7H16-2 C7H8 C8H10-2 C8H10-4 C8H16-1 C8H16-16 C8H18-1 C8H18-2 C8H8 C9H10 C9H12-5 C9H18-1 C9H18-3 C9H20-1 C9H20-D1 C9H8 C10H14-9 C10H20-1 C10H20-5 C10H22-1 C10H8 C11H10-1 C11H22-2 C11H24 C12H18-D2 C12H24-2 C12H26 C13H10 C13H26-2 C13H28 C14H10-1 C14H28-2 C14H30 C15H24 C15H32 C16H12

Name
1,4-PENTADIENE 2-METHYL-1,3-BUTADIENE CYCLOHEXENE CYCLOHEXANE 1-HEXENE N-HEXANE 2,3-DIMETHYL-BUTANE BENZENE METHYLCYCLOHEXANE 1-HEPTENE N-HEPTANE 2-METHYLHEXANE TOLUENE M-XYLENE ETHYLBENZENE 1,1-DIMETHYLCYCLOHEXANE 1-OCTENE N-OCTANE 2-METHYLHEPTANE STYRENE ALPHA-METHYL-STYRENE 1-METHYL-4-ETHYLBENZENE N-PROPYLCYCLOHEXANE 1-NONENE N-NONANE 2-METHYLOCTANE INDENE 1,2,4,5-TETRAMETHYLBENZENE N-BUTYLCYCLOHEXANE 1-DECENE N-DECANE NAPHTHALENE 1-METHYLNAPHTHALENE 1-UNDECENE N-UNDECANE P-DIISOPROPYLBENZENE 1-DODECENE N-DODECANE FLUORENE 1-TRIDECENE N-TRIDECANE ANTHRACENE 1-TETRADECENE N-TETRADECANE N-NONYLBENZENE N-PENTADECANE 1-PHENYLNAPHTHALENE

1-114 Databanks

Physical Property Data 11.1

Alias
C18H12 C20H16 C26H20 H2 H2O H2S N2 O2 O2S

Name
CHRYSENE TRIPHENYLETHYLENE TETRAPHENYLETHYLENE HYDROGEN WATER HYDROGEN-SULFIDE NITROGEN OXYGEN SULFUR-DIOXIDE

SRKAIJ and SRKBIJ are used to compute the interaction parameter using this equation:
k ij = aij + bij T

Where:
k ij aij bij

= Binary interaction parameter = SRKAIJ = SRKBIJ = Temperature

Physical Property Data 11.1

Databanks 1-115

Inorganic Component Databank

The tables below list the components present in the INORGANIC component databank. Components beginning with: Ag Cd Fe K Ni Rb Sn V
INORGANIC Component Databank Parameters

Al Ce Ga La Np Re Sr W

As Cl Gd Li O Rh Ta Y

Au Co Ge Mg Os Ru Tb Yb

B Cr H Mn P S Te Zn

Ba Cs Hf Mo Pb Sb Th Zr

Be Cu Hg N Pd Sc Ti

Bi Dy Ho Na Pr Se Tl

C Er In Nb Pt Si Tm

Ca Eu Ir Nd Pu Sm U

Other Elements

Parameter Name

Description

ATOMNO

CPIXP1 CPIXP2 CPIXP3 CPLXP1 CPLXP2 CPSXP1 CPSXP2 CPSXP3 CPSXP4 CPSXP5 CPSXP6 CPSXP7 MW NOATOM

TB TFP VSPOLY

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ideal gas property parameters range 1 Ideal gas property parameters range 2 Ideal gas property parameters range 3 Liquid property parameters range 1 Liquid property parameters range 2 Solid property parameters range 1 Solid property parameters range 2 Solid property parameters range 3 Solid property parameters range 4 Solid property parameters range 5 Solid property parameters range 6 Solid property parameters range 7 Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Normal boiling temperature Normal freezing temperature Molar volume parameters of solid

1-116 Databanks

Physical Property Data 11.1

The properties enthalpy, entropy, Gibbs free energy and heat capacity can be calculated from the ideal gas, liquid, and solid parameters with names beginning with CP. ATOMNO and NOATOM together form the chemical formula of the compound. They are used to calculate molecular weight and are used in RGIBBS.
INORGANIC Component Databank: Ag
Alias
AG AG2CO3 AG2CRO4 AG2O AG2S AG2S:A AG2S:B AG2S:C AG2SE AG2SE:A AG2SE:B AG2SE:C AG2SO4 AG2SO4:A AG2SO4:B AG2TE AG2TE:A AG2TE:B AG2WO4 AG3ASO4 AGBR AGBRO3 AGCL AGCLO3 AGCN AGF AGI AGI:A AGI:B AGNO3 AGNO3:A AGNO3:B AGP2 AGP3

Name
SILVER SILVER-CARBONATE SILVER-CHROMATE SILVER-OXIDE SILVER-SULFIDE SILVER-SULFIDE:SOL-A SILVER-SULFIDE:SOL-B SILVER-SULFIDE:SOL-C SILVER-SELENIDE SILVER-SELENIDE:SOL-A SILVER-SELENIDE:SOL-B SILVER-SELENIDE:SOL-C SILVER-SULFATE SILVER-SULFATE:SOL-A SILVER-SULFATE:SOL-B SILVER-TELLURIDE SILVER-TELLURIDE:SOL-A SILVER-TELLURIDE:SOL-B SILVER-TUNGSTATE SILVER-ARSENATE SILVER-BROMIDE SILVER-BROMATE SILVER-CHLORIDE SILVER-CHLORATE SILVER-CYANIDE SILVER-FLUORIDE SILVER-IODIDE SILVER-IODIDE:SOL-A SILVER-IODIDE:SOL-B SILVER-NITRATE SILVER-NITRATE:SOL-A SILVER-NITRATE:SOL-B SILVER-DIPHOSPHIDE SILVER-TRIPHOSPHIDE

Physical Property Data 11.1

Databanks 1-117

INORGANIC Component Databank: Al

Alias
AL AL(OH)3-A AL18B4O33 AL2(SO4)3 AL2BR6 AL2CA AL2CE AL2CL6 AL2F6 AL2I6 AL2LA AL2O AL2O2 AL2O3 AL2O3*3H2O AL2O3*H2O AL2O3*H2O-B AL2O3-C AL2O3-D AL2O3-K AL2S3 AL2SE2 AL2SE3 AL2SIO5 AL2SIO5-A AL2SIO5-S AL2TE3 AL2TIO5 AL2U AL3NI AL3NI2 AL3TH AL3TI AL3U AL4B2O9 AL4C3 AL4CA AL4CE AL4MG2SI5O18 AL4U AL5CO2 AL6SI2O13 ALAS ALASO4 ALB12 ALB2 ALBR

Name
ALUMINIUM ALUMINIUM-HYDROXIDE-AMORPHOUS 18-ALUMINIUM-4-BORON-33-OXIDE ALUMINIUM-SULFATE DIALUMINIUM-HEXABROMIDE-GAS 2-ALUMINIUM-CALCIUM 2-ALUMINIUM-CERIUM DIALUMINIUM-HEXACHLORIDE-GAS DIALUMINIUM-HEXAFLUORIDE-GAS DIALUMINIUM-HEXAIODIDE-GAS 2-ALUMINIUM-LANTHANUM DIALUMINIUM-OXIDE-GAS DIALUMINIUM-DIOXIDE-GAS ALUMINIUM-OXIDE-ALPHA-CORUNDUM GIBBSITE DIASPORE BOEHMITE ALUMINIUM-OXIDE-GAMMA ALUMINIUM-OXIDE-DELTA ALUMINIUM-OXIDE-KAPPA ALUMINIUM-SULFIDE DIALUMINIUM-DISELENIDE-GAS ALUMINIUM-SELENIDE ALUMINIUM-SILICATE-KYANITE ALUMINIUM-SILICATE-ANDALUSITE ALUMINIUM-SILICATE-SILLIMANITE ALUMINIUM-TELLURIDE DIALUMINIUM-TITANIUM-PENTAOXIDE 2-ALUMINIUM-URANIUM 3-ALUMINIUM-NICKEL 3-ALUMINIUM-2-NICKEL 3-ALUMINIUM-THORIUM 3-ALUMINIUM-TITANIUM 3-ALUMINIUM-URANIUM 4-ALUMINIUM-2-BORON-9-OXIDE TETRAALUMINIUM-TRICARBIDE 4-ALUMINIUM-CALCIUM 4-ALUMINIUM-CERIUM CORDIERITE 4-ALUMINIUM-URANIUM 5-ALUMINIUM-2-COBALT MULLITE ALUMINIUM-ARSENIDE ALUMINIUM-ARSENATE ALUMINIUM-DODECABORIDE ALUMINIUM-DIBORIDE ALUMINIUM-MONOBROMIDE-GAS

1-118 Databanks

Physical Property Data 11.1

Alias
ALBR3 ALCL ALCL2 ALCL3 ALCL3*6H2O ALCO ALF ALF2 ALF3 ALF3:A ALF3:B ALH3 ALI3 ALLI ALN ALNI ALNI3 ALO ALO(OH) ALO2 ALOCL ALOF ALOF2 ALP ALPO4 ALPO4:A ALPO4:B ALPO4:C ALS ALSB ALTE ALTI

Name
ALUMINIUM-BROMIDE ALUMINIUM-MONOCHLORIDE-GAS ALUMINIUM-DICHLORIDE-GAS ALUMINIUM-CHLORIDE ALUMINIUM-CHLORIDE-HEXAHYDRATE ALUMINIUM-COBALT ALUMINIUM-MONOFLUORIDE-GAS ALUMINIUM-DIFLUORIDE-GAS ALUMINIUM-FLUORIDE ALUMINIUM-FLUORIDE:SOL-A ALUMINIUM-FLUORIDE:SOL-B ALUMINIUM-HYDRIDE-HEXAGONAL ALUMINIUM-IODIDE ALUMINIUM-LITHIUM ALUMINIUM-NITRIDE ALUMINIUM-NICKEL ALUMINIUM-3-NICKEL ALUMINIUM-MONOXIDE-GAS BOEHMITE-ALO(OH) ALUMINIUM-DIOXIDE-GAS ALUMINIUM-CHLORIDE-OXIDE ALUMINIUM-FLUORIDE-OXIDE-GAS ALUMINIUM-DIFLUORIDE-OXIDE-GAS ALUMINIUM-PHOSPHIDE ALUMINIUM-PHOSPHATE ALUMINIUM-PHOSPHATE:SOL-A ALUMINIUM-PHOSPHATE:SOL-B ALUMINIUM-PHOSPHATE:SOL-C ALUMINIUM-MONOSULFIDE-GAS ALUMINIUM-ANTIMONY ALUMINIUM-MONOTELLURIDE-GAS ALUMINIUM-TITANIUM

INORGANIC Component Databank: As

Alias
AS AS-2 AS-3 AS-4 AS2O3-A AS2O3-C AS2O5 AS2S2 AS2S3 AS2S3:1 AS2S3:2 AS2SE3 AS2TE3

Name
ARSENIC ARSENIC-DIATOMIC ARSENIC-TRIATOMIC ARSENIC-4-ATOMIC ARSENIC-OXIDE-ARSENOLITE ARSENIC-OXIDE-CLAUDETITE DIARSENIC-PENTAOXIDE DIARSENIC-DISULFIDE ARSENIC-SULFIDE ARSENIC-SULFIDE:SOL-1 ARSENIC-SULFIDE:SOL-2 ARSENIC-SELENIDE ARSENIC-TELLURIDE

Physical Property Data 11.1

Databanks 1-119

Alias
AS4O6 AS4S4 AS4S4-R ASBR3 ASCL3 ASF3 ASF5 ASH3 ASI3 ASO ASS ASSE ASTE

Name
TETRAARSENIC-HEXAOXIDE-GAS TETRAARSENIC-TETRASULFIDE TETRAARSENIC-TETRASULFIDE-REALGA ARSENIC-BROMIDE-GAS ARSENIC-CHLORIDE ARSENIC-FLUORIDE ARSENIC-PENTAFLUORIDE-GAS ARSINE ARSENIC-IODIDE ARSENIC-MONOXIDE-GAS ARSENIC-MONOSULFIDE-GAS ARSENIC-MONOSELENIDE-GAS ARSENIC-MONOTELLURIDE-GAS

INORGANIC Component Databank: Au

Alias
AU AU(OH)3-P AU2O3 AU2P3 AU3ASO4 AUBR AUCD AUCL AUCL3 AUCU AUCU3 AUCU3:11 AUCU3:A AUCU:12 AUCU:22 AUCU:A AUF3 AUI AUS AUSB2 AUSE AUSE-B AUSN AUSN2 AUSN4 AUTE2

Alias
CA CA(NO3)2 CA(OCL)CL CA(OH)2 CA(VO3)2 CA12AL14O33 CA2AL2O5 CA2AL2SIO7 CA2B2O5 CA2B2O5:A CA2B2O5:B CA2FE2O5 CA2MGSI2O7 CA2P2O7 CA2P2O7:A CA2P2O7:B CA2P2O7:C CA2PB

Name
CALCIUM CALCIUM-NITRATE CALCIUM-CHLORIDE-HYPOCHLORITE CALCIUM-HYDROXIDE CALCIUM-METAVANADATE (CAO)12*7AL2O3 (CAO)2*AL2O3 GEHLENITE DICALCIUM-DIBORATE DICALCIUM-DIBORATE:SOL-A DICALCIUM-DIBORATE:SOL-B DICALCIUM-DIIRON-PENTAOXIDE AKERMANITE CALCIUM-PYROPHOSPHATE CALCIUM-PYROPHOSPHATE:SOL-A CALCIUM-PYROPHOSPHATE:SOL-B CALCIUM-PYROPHOSPHATE:SOL-C 2-CALCIUM-LEAD

Physical Property Data 11.1

Databanks 1-125

Alias
CA2SI CA2SI3*5:2W CA2SIO4 CA2SIO4*7:6W CA2SIO4-B CA2SIO4:A CA2SIO4:A1 CA2SIO4:C CA2SN CA2V2O7 CA3(ASO4)2 CA3(PO4)2 CA3(VO4)2 CA3AL2O6 CA3AL2O6*6W CA3AL2SI3O12 CA3B2O6 CA3MGSI2O8 CA3N2 CA3P2 CA3PO4-2:1 CA3PO4-2:A CA3PO4-2:B CA3SB2 CA3SI2O7 CA3SI2O7*3W CA3SIO5 CA3TI2O7 CA3WO6 CA4SI3*3:2W CA4TI3O10 CA5SI6*11:2W CA5SI6*21:2W CA5SI6O17*3W CA6SI6O18*W CA:A CA:B CAAL2O4 CAAL2SI2O8 CAAL2SIO6 CAAL4O7 CAB2O4 CAB4O7 CABR CABR2 CAC2 CAC2:A

Name
2-CALCIUM-SILICON 2-CALCIUM-3-SILICATE-5:2-HYDRATE OLIVINE CALCIUM-ORTHOSILICATE-7:6-HYDRAT LARNITE OLIVINE:SOL-A OLIVINE:SOL-A1 OLIVINE:SOL-C 2-CALCIUM-TIN CALCIUM-PYROVANADATE CALCIUM-ARSENATE CALCIUM-PHOSPHATE CALCIUM-ORTHOVANADATE (CAO)3*AL2O3 (CAO)3*AL2O3*6H2O GROSSULAR TRICALCIUM-DIBORATE MERWINITE TRICALCIUM-DINITRIDE TRICALCIUM-DIPHOSPHIDE CALCIUM-PHOSPHATE:SOL-1 CALCIUM-PHOSPHATE:SOL-A CALCIUM-PHOSPHATE:SOL-B 3-CALCIUM-2-ANTIMONY TRICALCIUM-DISILICATE-RANKINITE TRICALCIUM-DISILICATE-TRIHYDRATE TRICALCIUM-SILICATE (CAO)3*2TIO2 CALCIUM-ORTHOTUNGSTATE 4-CALCIUM-3-SILICATE-3:2-HYDRATE 4-CALCIUM-3-TITANIUM-10-OXIDE 5-CALCIUM-6-SILICATE-5.5-HYDRA 5-CALCIUM-6-SILICATE-10.5-HYDR 5-CALCIUM-6-SILICATE-3-HYDRATE 6-CALCIUM-6-SILICATE-HYDRATE CALCIUM:SOL-A CALCIUM:SOL-B CAO*AL2O3 ANORTHITE PYROXENE CAO*2AL2O3 CALCIUM-DIBORATE CALCIUM-TETRABORATE CALCIUM-MONOBROMIDE-GAS CALCIUM-BROMIDE CALCIUM-DICARBIDE CALCIUM-DICARBIDE:SOL-A

1-126 Databanks

Physical Property Data 11.1

Alias
CAC2:B CACL CACL2 CACN2 CACO3 CACO3-A CAF CAF2 CAF2:A CAF2:B CAFE2O4 CAH CAH2 CAH2:A CAH2:B CAHFO3 CAHPO4 CAHPO4*2H2O

Name

CALCIUM-DICARBIDE:SOL-B CALCIUM-MONOCHLORIDE-GAS CALCIUM-CHLORIDE CALCIUM-CYANAMIDE CALCIUM-CARBONATE-CALCITE CALCIUM-CARBONATE-ARAGONITE CALCIUM-MONOFLUORIDE-GAS CALCIUM-FLUORIDE CALCIUM-FLUORIDE:SOL-A CALCIUM-FLUORIDE:SOL-B CALCIUM-DIIRON-TETRAOXIDE CALCIUM-MONOHYDRIDE-GAS CALCIUM-HYDRIDE CALCIUM-HYDRIDE:SOL-A CALCIUM-HYDRIDE:SOL-B CALCIUM-HAFNIUM-TRIOXIDE CALCIUM-HYDROGEN-PHOSPHATE CALCIUM-HYDROGEN-PHOSPHATEDIHYD CAI CALCIUM-MONOIODIDE-GAS CAI2 CALCIUM-IODIDE CAMG(CO3)2 DOLOMITE CAMG2 CALCIUM-2-MAGNESIUM CAMGO2 CALCIUM-MAGNESIUM-DIOXIDE CAMGSI2O6 DIOPSIDE CAMGSIO4 MONTICELLITE CAMOO4 CALCIUM-MOLYBDATE CANO3*2*2H2O CALCIUM-NITRATE-DIHYDRATE CANO3*2*3H2O CALCIUM-NITRATE-TRIHYDRATE CANO3*2*4H2O CALCIUM-NITRATE-TETRAHYDRATE CAO CALCIUM-OXIDE CAO2 CALCIUM-PEROXIDE CAOH CALCIUM-MONOHYDROXIDE-GAS CAPB CALCIUM-LEAD CAS CALCIUM-SULFIDE CASE CALCIUM-SELENIDE CASI CALCIUM-SILICON CASI2 CALCIUM-2-SILICON CASI2O5*2H2O CALCIUM-2-SILICATE-2-HYDRATE CASIO3 WOLLASTONITE CASIO3-B PSEUDOWOLLASTONITE CASN CALCIUM-TIN CASO3 CALCIUM-SULFITE CASO3*1:2W CALCIUM-SULFITE-HEMIHYDRATE CASO4 CALCIUM-SULFATE CASO4*1:2W:A CALCIUM-SULFATE-HEMIHYDRATE:S-A

Physical Property Data 11.1

Databanks 1-127

Databanks 1-133

INORGANIC Component Databank: Dy

Alias
DY DY2O3 DY:A DY:B DYBR3 DYCL3 DYCL3*6H2O DYF3 DYI3

Name
DYSPROSIUM DYSPROSIUM-OXIDE DYSPROSIUM:SOL-A DYSPROSIUM:SOL-B DYSPROSIUM-BROMIDE-GAS DYSPROSIUM-CHLORIDE DYSPROSIUM-CHLORIDE-HEXAHYDRATE DYSPROSIUM-FLUORIDE DYSPROSIUM-IODIDE-GAS

INORGANIC Component Databank: Er

Alias
ER ER2O3 ERBR3 ERCL3 ERCL3*6H2O ERF3 ERF3:A ERF3:B ERI3

Name
ERBIUM ERBIUM-OXIDE-CUBIC ERBIUM-BROMIDE-GAS ERBIUM-CHLORIDE ERBIUM-CHLORIDE-HEXAHYDRATE ERBIUM-FLUORIDE ERBIUM-FLUORIDE:SOL-A ERBIUM-FLUORIDE:SOL-B ERBIUM-IODIDE-GAS

INORGANIC Component Databank: Eu

Alias
EU EU2O3 EU2O3-M EU2O3-M:M1 EU2O3-M:M2 EUBR2 EUBR3 EUCL3 EUCL3*6H2O EUF3 EUF3:A EUF3:B EUS

Name
EUROPIUM EUROPIUM-OXIDE-CUBIC EUROPIUM-OXIDE-MONOCLINIC EUROPIUM-OXIDE-MONOCLINIC:SOL-M1 EUROPIUM-OXIDE-MONOCLINIC:SOL-M2 EUROPIUM-DIBROMIDE EUROPIUM-BROMIDE EUROPIUM-CHLORIDE EUROPIUM-CHLORIDE-HEXAHYDRATE EUROPIUM-FLUORIDE EUROPIUM-FLUORIDE:SOL-A EUROPIUM-FLUORIDE:SOL-B EUROPIUM-MONOSULFIDE

INORGANIC Component Databank: Fe

Alias
FE FE(CO)5 FE(OH)2 FE(OH)3 FE(VO3)2 FE0.877S FE0.877S:A FE0.877S:B FE0.947O FE2(SO4)3 FE2B

Name
IRON IRON-PENTACARBONYL IRON-DIHYDROXIDE IRON-TRIHYDROXIDE IRON-VANADATE PYRRHOTITE PYRRHOTITE:SOL-A PYRRHOTITE:SOL-B WUESTITE DIIRON-TRISULFATE DIIRON-BORIDE

1-134 Databanks

Alias
GAF GAF2 GAF3 GAI3 GAN GAO GAP GAS GASB GASE GATE

Name
GALLIUM-MONOFLUORIDE-GAS GALLIUM-DIFLUORIDE-GAS GALLIUM-FLUORIDE GALLIUM-IODIDE GALLIUM-NITRIDE GALLIUM-MONOXIDE-GAS GALLIUM-PHOSPHIDE GALLIUM-MONOSULFIDE GALLIUM-ANTIMONY GALLIUM-MONOSELENIDE GALLIUM-MONOTELLURIDE

INORGANIC Component Databank: Gd

Alias
GD GD2O3 GD2O3-M GD:A GD:B GDBR3 GDCL3 GDF3 GDF3:A GDF3:B GDI3 GDI3:A GDI3:B GDOCL

Name
GADOLINIUM GADOLINIUM-OXIDE-CUBIC GADOLINIUM-OXIDE-MONOCLINIC GADOLINIUM:SOL-A GADOLINIUM:SOL-B GADOLINIUM-BROMIDE GADOLINIUM-CHLORIDE GADOLINIUM-FLUORIDE GADOLINIUM-FLUORIDE:SOL-A GADOLINIUM-FLUORIDE:SOL-B GADOLINIUM-IODIDE GADOLINIUM-IODIDE:SOL-A GADOLINIUM-IODIDE:SOL-B GADOLINIUM-CHLORIDE-OXIDE

INORGANIC Component Databank: Ge

Alias
GE GE2U GE3U GE3U5 GE5U3 GEBR4 GECL GECL2 GECL3 GECL4 GEF GEF2 GEF3 GEF4 GEH4 GEI4 GEMG2 GENI2

Name
GERMANIUM 2-GERMANIUM-URANIUM 3-GERMANIUM-URANIUM 3-GERMANIUM-5-URANIUM 5-GERMANIUM-3-URANIUM GERMANIUM-TETRABROMIDE-GAS GERMANIUM-MONOCHLORIDE-GAS GERMANIUM-DICHLORIDE-GAS GERMANIUM-TRICHLORIDE-GAS GERMANIUM-TETRACHLORIDE-GAS GERMANIUM-MONOFLUORIDE-GAS GERMANIUM-DIFLUORIDE-GAS GERMANIUM-TRIFLUORIDE-GAS GERMANIUM-TETRAFLUORIDE-GAS GERMANIUM-TETRAHYDRIDE GERMANIUM-TETRAIODIDE-GAS GERMANIUM-2-MAGNESIUM GERMANIUM-2-NICKEL

Physical Property Data 11.1

Databanks 1-137

Alias
GEO GEO2 GEO2:A GEO2:B GEP GES GES2 GESE GESE2 GETE GEU

Name
GERMANIUM-MONOXIDE-GAS GERMANIUM-DIOXIDE GERMANIUM-DIOXIDE:SOL-A GERMANIUM-DIOXIDE:SOL-B GERMANIUM-PHOSPHIDE GERMANIUM-MONOSULFIDE GERMANIUM-DISULFIDE GERMANIUM-MONOSELENIDE GERMANIUM-DISELENIDE GERMANIUM-MONOTELLURIDE GERMANIUM-URANIUM

INORGANIC Component Databank: H

Alias
D D2 D2O D2S DCL DF DH DS H 1/2-H2 H2 H2O H2O2 H2S H2S2 H2SE-G H2SO4 H2TE H2WO4 H3BO3 H3N H3PO4 H4N2 HBO2 HBR HCL HDO HF HI HNCO HNO3 HS

Name
DEUTERIUM-MONATOMIC-GAS DEUTERIUM DEUTERIUM-OXIDE HYDROGEN-SULFIDE-D2-GAS HYDROGEN-CHLORIDE-D1-GAS HYDROGEN-FLUORIDE-D1-GAS HYDROGEN-D1-GAS HYDROGEN-MONOSULFIDE-D1-GAS HYDROGEN-MONATOMIC-GAS 1/2-HYDROGEN HYDROGEN WATER HYDROGEN-PEROXIDE HYDROGEN-SULFIDE DIHYDROGEN-DISULFIDE-GAS HYDROGEN-SELENIDE-GAS SULFURIC-ACID HYDROGEN-TELLURIDE-GAS TUNGSTIC-ACID HYDROGEN-ORTHOBORATE AMMONIA ORTHOPHOSPHORIC-ACID HYDRAZINE METABORIC-ACID HYDROGEN-BROMIDE HYDROGEN-CHLORIDE WATER-D1-GAS HYDROGEN-FLUORIDE HYDROGEN-IODIDE ISOCYANIC-ACID-GAS NITRIC-ACID HYDROGEN-MONOSULFIDE-GAS

1-138 Databanks

Physical Property Data 11.1

INORGANIC Component Databank: Hf

Alias
HAFNIUM HF:A HF:B HFB2 HFBR4 HFC HFCL2 HFCL3 HFCL4 HFF4 HFI4 HFN HFO2 HFO2:A HFO2:B HFSRO3

Name
HAFNIUM HAFNIUM:SOL-A HAFNIUM:SOL-B HAFNIUM-DIBORIDE HAFNIUM-TETRABROMIDE HAFNIUM-CARBIDE HAFNIUM-DICHLORIDE-GAS HAFNIUM-TRICHLORIDE-GAS HAFNIUM-TETRACHLORIDE HAFNIUM-TETRAFLUORIDE HAFNIUM-TETRAIODIDE HAFNIUM-NITRIDE HAFNIUM-DIOXIDE HAFNIUM-DIOXIDE:SOL-A HAFNIUM-DIOXIDE:SOL-B HAFNIUM-STRONTIUM-TRIOXIDE

INORGANIC Component Databank: Hg

Alias
HG HG2BR2 HG2CL2 HG2F2 HG2I2 HG2SO4 HG3(ASO4)2 HGBR HGBR2 HGCL HGCL2 HGF HGF2 HGH HGI HGI2 HGI2:A HGI2:B HGO HGS HGS:B HGS:R HGSE HGSEO3 HGSO4 HGTE

Name
MERCURY DIMERCURY-DIBROMIDE DIMERCURY-DICHLORIDE DIMERCURY-DIFLUORIDE DIMERCURY-DIIODIDE DIMERCURY-SULFATE TRIMERCURY-DIARSENATE MERCURY-MONOBROMIDE-GAS MERCURY-DIBROMIDE MERCURY-MONOCHLORIDE-GAS MERCURY-DICHLORIDE MERCURY-MONOFLUORIDE-GAS MERCURY-DIFLUORIDE MERCURY-MONOHYDRIDE-GAS MERCURY-MONOIODIDE-GAS MERCURY-DIIODIDE MERCURY-DIIODIDE:SOL-A MERCURY-DIIODIDE:SOL-B MERCURY-OXIDE-RED MERCURY-SULFIDE-RED MERCURY-SULFIDE-RED:SOL-B MERCURY-SULFIDE-RED:SOL-R MERCURY-SELENIDE MERCURY-SELENITE MERCURY-SULFATE MERCURY-TELLURIDE

Physical Property Data 11.1

Databanks 1-139

INORGANIC Component Databank: Ho

Alias
HO-1 HO2O3 HO:A HO:B HOBR3 HOCL3 HOCL3*6H2O HOF3 HOF3:A HOF3:B

Name
HOLMIUM HOLMIUM-OXIDE HOLMIUM:SOL-A HOLMIUM:SOL-B HOLMIUM-BROMIDE HOLMIUM-CHLORIDE HOLMIUM-CHLORIDE-HEXAHYDRATE HOLMIUM-FLUORIDE HOLMIUM-FLUORIDE:SOL-A HOLMIUM-FLUORIDE:SOL-B

INORGANIC Component Databank: In

Alias
IN IN2(SO4)3 IN2CL6 IN2O IN2O3 IN2S3 IN2S3:A IN2S3:B IN2S3:C IN2SE3 IN2SE3:A IN2SE3:B IN2TE IN2TE3 IN2TE3:A IN2TE3:B IN5S6 INAS INASO4 INBR INBR3 INCL INCL2 INCL2:1 INCL2:2 INCL3 INCL:A INCL:B INF INF2 INF3 INI INI2 INI3 INN

Name
INDIUM DIINDIUM-TRISULFATE DIINDIUM-HEXACHLORIDE-GAS DIINDIUM-OXIDE-GAS DIINDIUM-TRIOXIDE DIINDIUM-TRISULFIDE DIINDIUM-TRISULFIDE:SOL-A DIINDIUM-TRISULFIDE:SOL-B DIINDIUM-TRISULFIDE:SOL-C DIINDIUM-TRISELENIDE DIINDIUM-TRISELENIDE:SOL-A DIINDIUM-TRISELENIDE:SOL-B DIINDIUM-TELLURIDE DIINDIUM-TRITELLURIDE DIINDIUM-TRITELLURIDE:SOL-A DIINDIUM-TRITELLURIDE:SOL-B PENTAINDIUM-HEXASULFIDE INDIUM-ARSENIDE INDIUM-ARSENATE INDIUM-MONOBROMIDE INDIUM-TRIBROMIDE INDIUM-MONOCHLORIDE INDIUM-DICHLORIDE INDIUM-DICHLORIDE:SOL-1 INDIUM-DICHLORIDE:SOL-2 INDIUM-TRICHLORIDE INDIUM-MONOCHLORIDE:SOL-A INDIUM-MONOCHLORIDE:SOL-B INDIUM-MONOFLUORIDE-GAS INDIUM-DIFLUORIDE-GAS INDIUM-TRIFLUORIDE INDIUM-MONOIODIDE INDIUM-DIIODIDE-GAS INDIUM-TRIIODIDE INDIUM-NITRIDE

1-140 Databanks

Physical Property Data 11.1

Alias
INP INP:A INP:B INS INSB INSE INTE

Name
INDIUM-PHOSPHIDE INDIUM-PHOSPHIDE:SOL-A INDIUM-PHOSPHIDE:SOL-B INDIUM-MONOSULFIDE INDIUM-ANTIMONY INDIUM-MONOSELENIDE INDIUM-MONOTELLURIDE

INORGANIC Component Databank: Ir

Alias
IR IR2S3 IRBR3 IRCL3 IRF6 IRI IRI2 IRO2 IRO3 IRS2

Name
IRIDIUM DIIRIDIUM-TRISULFIDE IRIDIUM-TRIBROMIDE IRIDIUM-TRICHLORIDE IRIDIUM-HEXAFLUORIDE-GAS IRIDIUM-MONOIODIDE IRIDIUM-DIIODIDE IRIDIUM-DIOXIDE IRIDIUM-TRIOXIDE-GAS IRIDIUM-DISULFIDE

INORGANIC Component Databank: K

Alias
K K2 K2(CN)2 K2(OH)2 K2B407 K2B6O10 K2B8O13 K2BR2 K2CL2 K2CO3 K2CRO4 K2CRO4:A K2CRO4:B K2F2 K2HPO4 K2I2 K2O K2O2 K2S K2S:1 K2S:2 K2SI2O5 K2SI2O5:B K2SI2O5:C K2SI4O9 K2SI4O9:A

Name
POTASSIUM POTASSIUM-DIATOMIC-GAS DIPOTASSIUM-DICYANIDE-GAS DIPOTASSIUM-DIHYDROXIDE-GAS DIPOTASSIUM-TETRABORATE DIPOTASSIUM-HEXABORATE DIPOTASSIUM-OCTABORATE DIPOTASSIUM-DIBROMIDE-GAS DIPOTASSIUM-DICHLORIDE-GAS POTASSIUM-CARBONATE POTASSIUM-CHROMATE POTASSIUM-CHROMATE:SOL-A POTASSIUM-CHROMATE:SOL-B DIPOTASSIUM-DIFLUORIDE-GAS DIPOTASSIUM-PHOSPHATE DIPOTASSIUM-DIIODIDE-GAS POTASSIUM-OXIDE DIPOTASSIUM-PEROXIDE POTASSIUM-SULFIDE POTASSIUM-SULFIDE:SOL-1 POTASSIUM-SULFIDE:SOL-2 POTASSIUM-DISILICATE POTASSIUM-DISILICATE:SOL-B POTASSIUM-DISILICATE:SOL-C POTASSIUM-TETRASILICATE POTASSIUM-TETRASILICATE:SOL-A

Physical Property Data 11.1

Databanks 1-141

Alias
K2SI4O9:B K2SIO3 K2SO3 K2SO4 K2SO4:A K2SO4:B K3ALCL6

Name

POTASSIUM-TETRASILICATE:SOL-B POTASSIUM-METASILICATE POTASSIUM-SULFITE POTASSIUM-SULFATE POTASSIUM-SULFATE:SOL-A POTASSIUM-SULFATE:SOL-B TRIPOTASSIUMHEXACHLOROALUMINATE K3ALF6 TRIPOTASSIUMHEXAFLUOROALUMINATE K3ASO4 POTASSIUM-ARSENATE K3PO4 POTASSIUM-PHOSPHATE KAL(SO4)2 POTASSIUM-ALUMINIUM-SULFATE KALCL4 POTASSIUM-TETRACHLOROALUMINATE KALSI2O6 LEUCITE KALSI3O8 SANIDINE KALSI3O8-A ADULARIA KALSI3O8-M MICROCLINE KALSIO4 KALIOPHILITE KALSO4*2*12W POTASSIUM-ALUMINIUM-SULFATE-12-H KALSO4*2*3W POTASSIUM-ALUMINIUM-SULFATE-3-HY KBO2 POTASSIUM-METABORATE KBR POTASSIUM-BROMIDE KCL POTASSIUM-CHLORIDE KCLO4 POTASSIUM-PERCHLORATE KCLO4:1 POTASSIUM-PERCHLORATE:SOL-1 KCLO4:2 POTASSIUM-PERCHLORATE:SOL-2 KCN POTASSIUM-CYANIDE KF POTASSIUM-FLUORIDE KH POTASSIUM-HYDRIDE KH2PO4 POTASSIUM-DIHYDROGEN-PHOSPHATE KH2PO4:1 POTASSIUM-DIHYDROGEN-PHOS:SOL-1 KH2PO4:2 POTASSIUM-DIHYDROGEN-PHOS:SOL-2 KI POTASSIUM-IODIDE KNO3 POTASSIUM-NITRATE KNO3:A POTASSIUM-NITRATE:SOL-A KNO3:B POTASSIUM-NITRATE:SOL-B KO POTASSIUM-MONOXIDE-GAS KO2 POTASSIUM-DIOXIDE KOH POTASSIUM-HYDROXIDE KOH:A POTASSIUM-HYDROXIDE:SOL-A KOH:B POTASSIUM-HYDROXIDE:SOL-B

INORGANIC Component Databank: La

Alias
NI NI(CO)4 NI11AS8 NI2P NI2SIO4 NI3(ASO4)2 NI3C NI3P NI3S2 NI3S2:1 NI3S2:2 NI3S4 NI3SN NI3SN2 NI3TI NI4B3 NI5AS2 NI5P2 NI7SI13

Name
NICKEL NICKEL-TETRACARBONYL-GAS 11-NICKEL-8-ARSENIDE DINICKEL-PHOSPHIDE DINICKEL-ORTHOSILICATE NICKEL-ARSENATE TRINICKEL-CARBIDE TRINICKEL-PHOSPHIDE TRINICKEL-DISULFIDE TRINICKEL-DISULFIDE:SOL-1 TRINICKEL-DISULFIDE:SOL-2 TRINICKEL-TETRASULFIDE 3-NICKEL-TIN 3-NICKEL-2-TIN 3-NICKEL-TITANIUM TETRANICKEL-TRIBORIDE 5-NICKEL-2-ARSENIDE PENTANICKEL-DIPHOSPHIDE 7-NICKEL-13-SILICON

Physical Property Data 11.1

Databanks 1-151

Alias
NIAL2O4 NIAS NIB NIBR NIBR2 NICL NICL2 NICO3 NIF NIF2 NII NII2 NIO NIO:A NIO:B NIO:C NIS NIS0.84 NIS2 NIS:A NIS:B NISB NISE1.05 NISE1.143 NISE1.25 NISE1.25:A NISE1.25:B NISE1.25:C NISE2 NISEO3 NISI NISO4 NITE1.1 NITI NITI2 NITIO3 NIWO4

Name
NICKEL-DIALUMINIUM-TETRAOXIDE NICKEL-ARSENIDE NICKEL-MONOBORIDE NICKEL-MONOBROMIDE-GAS NICKEL-BROMIDE NICKEL-MONOCHLORIDE-GAS NICKEL-CHLORIDE NICKEL-CARBONATE NICKEL-MONOFLUORIDE-GAS NICKEL-FLUORIDE NICKEL-MONOIODIDE-GAS NICKEL-IODIDE NICKEL-OXIDE NICKEL-OXIDE:SOL-A NICKEL-OXIDE:SOL-B NICKEL-OXIDE:SOL-C NICKEL-SULFIDE NICKEL-0.84-SULFIDE NICKEL-DISULFIDE NICKEL-SULFIDE:SOL-A NICKEL-SULFIDE:SOL-B NICKEL-ANTIMONY NICKEL-1.05-SELENIDE NICKEL-1.143-SELENIDE NICKEL-1.25-SELENIDE NICKEL-1.25-SELENIDE:SOL-A NICKEL-1.25-SELENIDE:SOL-B NICKEL-1.25-SELENIDE:SOL-C NICKEL-DISELENIDE NICKEL-SELENITE NICKEL-SILICON NICKEL-SULFATE NICKEL-1.1-TELLURIDE NICKEL-TITANIUM NICKEL-2-TITANIUM NICKEL-TITANIUM-TRIOXIDE NICKEL-TUNGSTATE

INORGANIC Component Databank: Np

Alias
NP NP:A NP:B NP:C NPCL3 NPCL4 NPF3 NPF6

Name
NEPTUNIUM NEPTUNIUM:SOL-A NEPTUNIUM:SOL-B NEPTUNIUM:SOL-C NEPTUNIUM-TRICHLORIDE NEPTUNIUM-TETRACHLORIDE NEPTUNIUM-TRIFLUORIDE NEPTUNIUM-HEXAFLUORIDE

1-152 Databanks

Physical Property Data 11.1

Alias
NPO2 NPO3*H2O NPOCL2

Name
NEPTUNIUM-DIOXIDE NEPTUNIUM-TRIOXIDE-HYDRATE NEPTUNIUM-DICHLORIDE-OXIDE

INORGANIC Component Databank: O

Alias
O 1/2-O2 O2 O2S O3 O3S OD OF2 OH

Name
OXYGEN-MONATOMIC-GAS 1/2-OXYGEN OXYGEN SULFUR-DIOXIDE OZONE SULFUR-TRIOXIDE HYDROXYL-D1-GAS OXYGEN-DIFLUORIDE-GAS HYDROXYL-GAS

INORGANIC Component Databank: Os

Alias
OS OSO2 OSO4-Y OSP2 OSS2 OSSE2

Name
OSMIUM OSMIUM-DIOXIDE OSMIUM-TETRAOXIDE-YELLOW OSMIUM-DIPHOSPHIDE OSMIUM-DISULFIDE OSMIUM-DISELENIDE

INORGANIC Component Databank: P

Alias
1/2-P2 1/4-P4 P-O P-R P-W P2 P2O5-L P4 P4O10 P4O6 P4S10 P4S3 P4S3:A P4S3:B P4S5 P4S6 P4S7 PBR3 PCL3-G PCL5-G PF3 PF5 PH3 PI3

Name
1/2-PHOSPHORUS-P2 1/4-PHOSPHORUS-P4 PHOSPHORUS-MONOXIDE-GAS PHOSPHORUS-RED PHOSPHORUS-WHITE PHOSPHORUS-DIATOMIC-GAS DIPHOSPHORUS-PENTAOXIDE-LIQID PHOSPHORUS-4-ATOMIC-GAS TETRAPHOSPHORUS-DECAOXIDE TETRAPHOSPHORUS-HEXAOXIDE-GAS PHOSPHORUS-PENTASULFIDE TETRAPHOSPHORUS-TRISULFIDE TETRAPHOSPHORUS-TRISULFIDE:SOL-A TETRAPHOSPHORUS-TRISULFIDE:SOL-B TETRAPHOSPHORUS-PENTASULFIDE TETRAPHOSPHORUS-HEXASULFIDE TETRAPHOSPHORUS-HEPTASULFIDE PHOSPHORUS-TRIBROMIDE-GAS PHOSPHORUS-TRICHLORIDE-GAS PHOSPHORUS-PENTACHLORIDE-GAS PHOSPHORUS-TRIFLUORIDE-GAS PHOSPHORUS-PENTAFLUORIDE-GAS PHOSPHINE PHOSPHORUS-TRIIODIDE-GAS

Physical Property Data 11.1

Databanks 1-153

Alias
PN PO2 POBR3 POCL3 PS

Name
PHOSPHORUS-MONONITRIDE-GAS PHOSPHORUS-DIOXIDE-GAS PHOSPHORUS-TRIBROMIDE-OXIDE-GAS PHOSPHORUS-OXYCHLORIDE PHOSPHORUS-MONOSULFIDE-GAS

INORGANIC Component Databank: Pb

Alias
PB PB2 PB2I4 PB2SIO4 PB3(ASO4)2 PB3O4 PB4SIO6 PBB2O4 PBB4O7 PBBR PBBR2 PBBR4 PBCL PBCL2 PBCL4 PBCO3 PBF PBF2 PBF2:A PBF2:B PBF4 PBH PBI PBI2 PBI4 PBMOO4 PBO*PBCO3 PBO*PBSO4 2PBO*PBSO4 3PBO*PBSO4 4PBO*PBSO4 PBO-R PBO-Y PBO2 PBS PBSE PBSEO3 PBSEO4 PBSIO3 PBSO4

Name
LEAD LEAD-DIATOMIC-GAS DILEAD-TETRAIODIDE-GAS DILEAD-ORTHOSILICATE LEAD-ARSENATE TRILEAD-TETRAOXIDE TETRALEAD-SILICATE LEAD-DIBORATE LEAD-TETRABORATE LEAD-MONOBROMIDE-GAS LEAD-DIBROMIDE LEAD-TETRABROMIDE-GAS LEAD-MONOCHLORIDE-GAS LEAD-DICHLORIDE LEAD-TETRACHLORIDE-GAS LEAD-CARBONATE LEAD-MONOFLUORIDE-GAS LEAD-DIFLUORIDE LEAD-DIFLUORIDE:SOL-A LEAD-DIFLUORIDE:SOL-B LEAD-TETRAFLUORIDE-GAS LEAD-MONOHYDRIDE-GAS LEAD-MONOIODIDE-GAS LEAD-DIIODIDE LEAD-TETRAIODIDE-GAS LEAD-MOLYBDATE DILEAD-OXIDE-CARBONATE DILEAD-OXIDE-SULFATE TRILEAD-DIOXIDE-SULFATE TETRALEAD-TRIOXIDE-SULFATE PENTALEAD-TETRAOXIDE-SULFATE LEAD-OXIDE-RED LEAD-OXIDE-YELLOW-MASSICOT LEAD-DIOXIDE LEAD-SULFIDE LEAD-SELENIDE LEAD-SELENITE LEAD-SELENATE LEAD-METASILICATE LEAD-SULFATE

1-154 Databanks

Physical Property Data 11.1

Alias
PBSO4:A PBSO4:B PBTE PBTIO3 PBTIO3:A PBTIO3:B PBWO4

Name
LEAD-SULFATE:SOL-A LEAD-SULFATE:SOL-B LEAD-TELLURIDE LEAD-TITANIUM-TRIOXIDE LEAD-TITANIUM-TRIOXIDE:SOL-A LEAD-TITANIUM-TRIOXIDE:SOL-B LEAD-TUNGSTATE

INORGANIC Component Databank: Pd

Alias
PD PD4S PDCL2 PDF2 PDI2 PDI2:A PDI2:B PDO PDS PDS2 PDTE

Name
PALLADIUM TETRAPALLADIUM-SULFIDE PALLADIUM-CHLORIDE PALLADIUM-FLUORIDE PALLADIUM-IODIDE PALLADIUM-IODIDE:SOL-A PALLADIUM-IODIDE:SOL-B PALLADIUM-OXIDE PALLADIUM-SULFIDE PALLADIUM-DISULFIDE PALLADIUM-TELLURIDE

INORGANIC Component Databank: Pr

Alias
PR PR2O3 PR3S4 PR7O12 PR:A PR:B PRBR3 PRCL3 PRF3 PRH2 PRI3 PRO1.833 PRO1.833:A PRO1.833:B PRO2 PRS

Name
PRASEODYMIUM PRASEODYMIUM-OXIDE TRIPRASEODYMIUM-TETRASULFIDE 7-PRASEODYMIUM-12-OXIDE PRASEODYMIUM:SOL-A PRASEODYMIUM:SOL-B PRASEODYMIUM-BROMIDE PRASEODYMIUM-CHLORIDE PRASEODYMIUM-FLUORIDE PRASEODYMIUM-DIHYDRIDE PRASEODYMIUM-IODIDE PRASEODYMIUM-1.833-OXIDE PRASEODYMIUM-1.833-OXIDE:SOL-A PRASEODYMIUM-1.833-OXIDE:SOL-B PRASEODYMIUM-DIOXIDE PRASEODYMIUM-MONOSULFIDE

INORGANIC Component Databank: Pt

Alias
PT PT5SE4 PTBR2 PTBR3 PTBR4 PTCL2 PTCL3 PTCL4

Name
PLATINUM PENTAPLATINUM-TETRASELENIDE PLATINUM-DIBROMIDE PLATINUM-TRIBROMIDE PLATINUM-TETRABROMIDE PLATINUM-DICHLORIDE PLATINUM-TRICHLORIDE PLATINUM-TETRACHLORIDE

Physical Property Data 11.1

Databanks 1-155

Alias
PTI4 PTO2 PTS PTS2

Name
PLATINUM-TETRAIODIDE PLATINUM-DIOXIDE-GAS PLATINUM-MONOSULFIDE PLATINUM-DISULFIDE

INORGANIC Component Databank: Pu

Alias
PU PU(SO4)2 PU2C3 PU2O3 PU2O3-B PU2S3 PU:A PU:B PU:C PU:D PU:D1 PU:E PUBR3 PUC0.88 PUC2 PUCL3 PUF3 PUF4 PUF6 PUH2 PUH3 PUI3 PUN PUO PUO2 PUOBR PUOCL PUOF PUOI PUS

Name
PLUTONIUM PLUTONIUM-DISULFATE DIPLUTONIUM-TRICARBIDE DIPLUTONIUM-TRIOXIDE-ALPHA DIPLUTONIUM-TRIOXIDE-BETA DIPLUTONIUM-TRISULFIDE PLUTONIUM:SOL-A PLUTONIUM:SOL-B PLUTONIUM:SOL-C PLUTONIUM:SOL-D PLUTONIUM:S.-D1 PLUTONIUM:SOL-E PLUTONIUM-TRIBROMIDE PLUTONIUM-0.88-CARBIDE PLUTONIUM-DICARBIDE PLUTONIUM-TRICHLORIDE PLUTONIUM-TRIFLUORIDE PLUTONIUM-TETRAFLUORIDE PLUTONIUM-HEXAFLUORIDE PLUTONIUM-DIHYDRIDE PLUTONIUM-TRIHYDRIDE PLUTONIUM-TRIIODIDE PLUTONIUM-NITRIDE PLUTONIUM-OXIDE PLUTONIUM-DIOXIDE PLUTONIUM-BROMIDE-OXIDE PLUTONIUM-CHLORIDE-OXIDE PLUTONIUM-FLUORIDE-OXIDE PLUTONIUM-IODIDE-OXIDE PLUTONIUM-MONOSULFIDE

INORGANIC Component Databank: Rb

Alias
RB RB2 RB2CL2 RB2CO3 RB2CO3:1 RB2CO3:2 RB2F2 RB2O RB2O:A

Name
RUBIDIUM RUBIDIUM-DIATOMIC-GAS DIRUBIDIUM-DICHLORIDE-GAS RUBIDIUM-CARBONATE RUBIDIUM-CARBONATE:SOL-1 RUBIDIUM-CARBONATE:SOL-2 DIRUBIDIUM-DIFLUORIDE-GAS RUBIDIUM-OXIDE RUBIDIUM-OXIDE:SOL-A

1-156 Databanks

Physical Property Data 11.1

Alias
RB2O:B RB2O:C RB2SI2O5 RB2SI4O9 RB2SIO3 RB2SO4 RB2SO4:A RB2SO4:B RB3ASO4 RBBR RBCL RBF RBI RBO2

Name
RUBIDIUM-OXIDE:SOL-B RUBIDIUM-OXIDE:SOL-C RUBIDIUM-DISILICATE RUBIDIUM-TETRASILICATE RUBIDIUM-METASILICATE RUBIDIUM-SULFATE RUBIDIUM-SULFATE:SOL-A RUBIDIUM-SULFATE:SOL-B RUBIDIUM-ARSENATE RUBIDIUM-BROMIDE RUBIDIUM-CHLORIDE RUBIDIUM-FLUORIDE RUBIDIUM-IODIDE RUBIDIUM-PEROXIDE

INORGANIC Component Databank: Re

Alias
RE RE2O7 RE2O7:A RE2O7:B RE2S7 RE2TE5 RE2Y RE3AS7 RE5SI3 REASO4 REBR3 RECL3 REO2 REO3 RES2 RESI RESI2

Name
RHENIUM DIRHENIUM-HEPTAOXIDE DIRHENIUM-HEPTAOXIDE:SOL-A DIRHENIUM-HEPTAOXIDE:SOL-B DIRHENIUM-HEPTASULFIDE DIRHENIUM-PENTATELLURIDE 2-RHENIUM-YTTRIUM TRIRHENIUM-HEPTAARSENIDE 5-RHENIUM-3-SILICON RHENIUM-ARSENATE RHENIUM-TRIBROMIDE RHENIUM-TRICHLORIDE RHENIUM-DIOXIDE RHENIUM-TRIOXIDE RHENIUM-DISULFIDE RHENIUM-SILICON RHENIUM-2-SILICON

INORGANIC Component Databank: Rh

Alias
RH RH2O3 RH3U RHCL2 RHCL3 RHO2

Name
RHODIUM DIRHODIUM-TRIOXIDE 3-RHODIUM-URANIUM RHODIUM-DICHLORIDE-GAS RHODIUM-TRICHLORIDE RHODIUM-DIOXIDE-GAS

INORGANIC Component Databank: Ru

Alias
RU RU3U RUCL3 RUCL4 RUF5

Name
RUTHENIUM 3-RUTHENIUM-URANIUM RUTHENIUM-TRICHLORIDE RUTHENIUM-TETRACHLORIDE-GAS RUTHENIUM-PENTAFLUORIDE

Physical Property Data 11.1

Databanks 1-157

Alias
RUO2 RUO3 RUO4-G RUS2 RUSE2

Name
RUTHENIUM-DIOXIDE RUTHENIUM-TRIOXIDE-GAS RUTHENIUM-TETROXIDE-GAS RUTHENIUM-DISULFIDE RUTHENIUM-DISELENIDE

INORGANIC Component Databank: S

Alias
S S-N 1/2-S2 S2 S2BR2 S2CL S2CL2 S2F10 S2O S3 S4 S5 S6 S7 S8 S:MO S:RH SCL SCL2-G SF SF2 SF3 SF4 SF5 SF6-G SO SO2CL2-G SO2F2 SOCL2-G SOF2 SSF2

Name
SULFUR SULFUR-MONONITRIDE-GAS 1/2-SULFUR-S2 SULFUR-DIATOMIC-GAS DISULFUR-DIBROMIDE-GAS DISULFUR-CHLORIDE-RADICAL-GAS DISULFUR-DICHLORIDE DISULFUR-DECAFLUORIDE-GAS DISULFUR-OXIDE-GAS SULFUR-TRIATOMIC-GAS SULFUR-4-ATOMIC-GAS SULFUR-5-ATOMIC-GAS SULFUR-6-ATOMIC-GAS SULFUR-7-ATOMIC-GAS SULFUR-8-ATOMIC-GAS SULFUR-RHOMBIC-MONOCLINIC:S.MO SULFUR-RHOMBIC-MONOCLINIC:S.RH SULFUR-MONOCHLORIDE-GAS SULFUR-DICHLORIDE-GAS SULFUR-MONOFLUORIDE-GAS SULFUR-DIFLUORIDE-GAS SULFUR-TRIFLUORIDE-GAS SULFUR-TETRAFLUORIDE-GAS SULFUR-PENTAFLUORIDE-GAS SULFUR-HEXAFLUORIDE-GAS SULFUR-MONOXIDE-GAS SULFONYL-DICHLORIDE-GAS SULFONYL-DIFLUORIDE-GAS SULFINYL-DICHLORIDE-GAS SULFINYL-DIFLUORIDE-GAS SULFINOTHIOYL-DIFLUORIDE-GAS

INORGANIC Component Databank: Sb

Alias
SB SB2 SB2(SO4)3 SB2O3 SB2O3-O SB2O3:A SB2O3:B

Name
ANTIMONY ANTIMONY-DIATOMIC-GAS DIANTIMONY-TRISULFATE DIANTIMONY-TRIOXIDE-CUBIC DIANTIMONY-TRIOXIDEORTHORHOMBIC DIANTIMONY-TRIOXIDE-CUBIC:SOL-A DIANTIMONY-TRIOXIDE-CUBIC:SOL-B

1-158 Databanks

Physical Property Data 11.1

Alias
SB2O4 SB2O5 SB2S3 SB2S4 SB2SE3 SB2TE3 SB3S2 SB4 SB4O6 SB4S3 SBBR3 SBCL SBCL3 SBCL5 SBF SBF3 SBH3 SBI3 SBO SBOCL SBR2 SBS SBSE SBZN

Name
DIANTIMONY-TETRAOXIDE DIANTIMONY-PENTAOXIDE DIANTIMONY-TRISULFIDE-BLACK DIANTIMONY-TETRASULFIDE-GAS DIANTIMONY-TRISELENIDE DIANTIMONY-TRITELLURIDE TRIANTIMONY-DISULFIDE-GAS ANTIMONY-4-ATOMIC-GAS TETRAANTIMONY-HEXAOXIDE-GAS TETRAANTIMONY-TRISULFIDE-GAS ANTIMONY-TRIBROMIDE ANTIMONY-MONOCHLORIDE-GAS ANTIMONY-TRICHLORIDE ANTIMONY-PENTACHLORIDE-GAS ANTIMONY-MONOFLUORIDE-GAS ANTIMONY-TRIFLUORIDE ANTIMONY-TRIHYDRIDE-GAS ANTIMONY-TRIIODIDE ANTIMONY-OXIDE-GAS ANTIMONY-CHLORIDE-OXIDE SULFUR-DIBROMIDE-GAS ANTIMONY-SULFIDE-GAS ANTIMONY-SELENIDE-GAS ANTIMONY-ZINC

INORGANIC Component Databank: Sc

Alias
SC SC2O3 SC:A SC:B SCASO4 SCBR3 SCCL3 SCF3 SCN

Name
SCANDIUM SCANDIUM-OXIDE SCANDIUM:SOL-A SCANDIUM:SOL-B SCANDIUM-ARSENATE SCANDIUM-BROMIDE SCANDIUM-CHLORIDE SCANDIUM-FLUORIDE SCANDIUM-NITRIDE

INORGANIC Component Databank: Se

Alias
SE SE2 SE2BR2 SE2CL2 SE3 SE4 SE5 SE6 SE7 SE8

Name
SELENIUM SELENIUM-DIATOMIC-GAS DISELENIUM-DIBROMIDE-GAS DISELENIUM-DICHLORIDE SELENIUM-TRIATOMIC-GAS SELENIUM-4-ATOMIC-GAS SELENIUM-5-ATOMIC-GAS SELENIUM-6-ATOMIC-GAS SELENIUM-7-ATOMIC-GAS SELENIUM-8-ATOMIC-GAS

Physical Property Data 11.1

Databanks 1-159

Alias
SEBR2 SECL2 SECL4 SEF SEF2 SEF4 SEF5 SEF6 SEO SEO2

Name
SELENIUM-DIBROMIDE-GAS SELENIUM-DICHLORIDE-GAS SELENIUM-TETRACHLORIDE SELENIUM-FLUORIDE-GAS SELENIUM-DIFLUORIDE-GAS SELENIUM-TETRAFLUORIDE-GAS SELENIUM-PENTAFLUORIDE-GAS SELENIUM-HEXAFLUORIDE-GAS SELENIUM-OXIDE-GAS SELENIUM-DIOXIDE

INORGANIC Component Databank: Si

Alias
SI SI2 SI2H6-G SI2TA SI2TH SI2TH3 SI2TI SI2U SI2U3 SI2V SI2W SI2ZR SI3 SI3N4 SI3TA5 SI3TI5 SI3U SI3V5 SI3W5 SI3ZR5 SI5TH3 SI5U3 SIBR SIBR2 SIBR3 SIBR4 SIC-C SICL SICL2 SICL3 SICL4-G SIF SIF2 SIF3 SIF4-G

Name
SILICON SILICON-DIATOMIC-GAS DISILANE-GAS 2-SILICON-TANTALUM 2-SILICON-THORIUM 2-SILICON-3-THORIUM 2-SILICON-TITANIUM 2-SILICON-URANIUM 2-SILICON-3-URANIUM 2-SILICON-VANADIUM 2-SILICON-TUNGSTEN 2-SILICON-ZIRCONIUM SILICON-TRIATOMIC-GAS TRISILICON-TETRANITRIDE-ALPHA 3-SILICON-5-TANTALUM 3-SILICON-5-TITANIUM 3-SILICON-URANIUM 3-SILICON-5-VANADIUM 3-SILICON-5-TUNGSTEN 3-SILICON-5-ZIRCONIUM 5-SILICON-3-THORIUM 5-SILICON-3-URANIUM SILICON-MONOBROMIDE-GAS SILICON-DIBROMIDE-GAS SILICON-TRIBROMIDE-GAS SILICON-TETRABROMIDE SILICON-CARBIDE-CUBIC SILICON-CHLORIDE-GAS SILICON-DICHLORIDE-GAS SILICON-TRICHLORIDE-GAS SILICON-TETRACHLORIDE-GAS SILICON-FLUORIDE-GAS SILICON-DIFLUORIDE-GAS SILICON-TRIFLUORIDE-GAS SILICON-TETRAFLUORIDE-GAS

1-160 Databanks

Physical Property Data 11.1

Alias
SIH SIH4-G SII SII2 SII3 SII4 SIO SIO2 SIO2-CR SIO2:HC SIO2:HQ SIO2:LQ SIOF2 SIP SIS SIS2 SISE SITA2 SITH SITI SIU SIU3 SIV3 SIZR SIZR2

Name
SILICON-HYDRIDE-GAS SILANE-GAS SILICON-IODIDE-GAS SILICON-DIIODIDE-GAS SILICON-TRIIODIDE-GAS SILICON-TETRAIODIDE SILICON-OXIDE-GAS SILICON-DIOXIDE SILICON-DIOXIDE-CRISTOBALITE SILICON-DIOXIDE:S-HC SILICON-DIOXIDE:S-HQ SILICON-DIOXIDE:S-LQ SILICON-DIFLUORIDE-OXIDE-GAS SILICON-PHOSPHIDE SILICON-SULFIDE-GAS SILICON-DISULFIDE SILICON-SELENIDE-GAS SILICON-2-TANTALUM SILICON-THORIUM SILICON-TITANIUM SILICON-URANIUM SILICON-3-URANIUM SILICON-3-VANADIUM SILICON-ZIRCONIUM SILICON-2-ZIRCONIUM

INORGANIC Component Databank: Sm

Alias
SM SM2O3 SM2O3-M SM2O3-M:M1 SM2O3-M:M2 SM2ZR2O7 SM:A SM:B SMC2 SMC2:A SMC2:B SMCL2 SMCL3 SMOF SMOF:A SMOF:B

Name
SAMARIUM DISAMARIUM-TRIOXIDE-CUBIC DISAMARIUM-TRIOXIDE-MONOCLINIC DISAMARIUM-3-OXIDE-MONOCLINIC:M1 DISAMARIUM-3-OXIDE-MONOCLINIC:M2 DISAMARIUM-DIZIRCONIUM-HEPTAOXID SAMARIUM:SOL-A SAMARIUM:SOL-B SAMARIUM-DICARBIDE SAMARIUM-DICARBIDE:SOL-A SAMARIUM-DICARBIDE:SOL-B SAMARIUM-DICHLORIDE SAMARIUM-TRICHLORIDE SAMARIUM-FLUORIDE-OXIDE SAMARIUM-FLUORIDE-OXIDE:SOL-A SAMARIUM-FLUORIDE-OXIDE:SOL-B

Physical Property Data 11.1

Databanks 1-161

INORGANIC Component Databank: Sn

Alias
SN SN(SO4)2 SN2I4 SN2S3 SN3(ASO4)2 SN3S4 SNBR2 SNBR4 SNCL SNCL2 SNCL4 SNF SNF2 SNH4 SNI2 SNI4 SNO SNO2 SNS SNS2 SNS:A SNS:B SNSE SNSE2 SNSO4 SNTE

Name
TIN-WHITE TIN-DISULFATE DITIN-TETRAIODIDE-GAS DITIN-TRISULFIDE TRITIN-ARSENATE TRITIN-TETRASULFIDE TIN-DIBROMIDE TIN-TETRABROMIDE TIN-MONOCHLORIDE-GAS TIN-DICHLORIDE TIN-TETRACHLORIDE TIN-MONOFLUORIDE-GAS TIN-DIFLUORIDE TIN-TETRAHYDRIDE-GAS TIN-DIIODIDE TIN-TETRAIODIDE TIN-MONOXIDE TIN-DIOXIDE TIN-MONOSULFIDE TIN-DISULFIDE TIN-MONOSULFIDE:SOL-A TIN-MONOSULFIDE:SOL-B TIN-MONOSELENIDE TIN-DISELENIDE TIN-MONOSULFATE TIN-MONOTELLURIDE

INORGANIC Component Databank: Sr

Alias
SR SR(OH)2 SR2SIO4 SR2TIO4 SR2TIO4:1 SR2TIO4:2 SR3(ASO4)2 SR3N2 SR4TI3O10 SR:A SR:C SRAL2O4 SRAL2O4:A SRAL2O4:B SRBR SRBR2 SRBR2:A SRBR2:B SRC2

Name
STRONTIUM STRONTIUM-HYDROXIDE STRONTIUM-ORTHOSILICATE DISTRONTIUM-TITANIUM-TETRAOXIDE DISTRONTIUM-TITANIUM-4-OXIDE:S-1 DISTRONTIUM-TITANIUM-4-OXIDE:S-2 STRONTIUM-ARSENATE TRISTRONTIUM-DINITRIDE TETRASTRONTIUM-TRITITANIUM-DECAO STRONTIUM:SOL-A STRONTIUM:SOL-C STRONTIUM-DIALUMINIUM-TETRAOXIDE STRONTIUM-DIALUMINIUM-4-OXIDE:A STRONTIUM-DIALUMINIUM-4-OXIDE:B STRONTIUM-MONOBROMIDE-GAS STRONTIUM-BROMIDE STRONTIUM-BROMIDE:SOL-A STRONTIUM-BROMIDE:SOL-B STRONTIUM-DICARBIDE

1-162 Databanks

Physical Property Data 11.1

Alias
SRCL SRCL2 SRCO3 SRCO3:A SRCO3:B SRF2 SRF2:1 SRF2:2 SRF2:3 SRH2 SRI2 SRMOO4 SRO SRO2 SROH SRS SRSIO3 SRSO4 SRSO4:1 SRSO4:2 SRTIO3 SRWO4 SRZRO3

Name
STRONTIUM-MONOCHLORIDE-GAS STRONTIUM-CHLORIDE STRONTIUM-CARBONATE STRONTIUM-CARBONATE:SOL-A STRONTIUM-CARBONATE:SOL-B STRONTIUM-FLUORIDE STRONTIUM-FLUORIDE:SOL-1 STRONTIUM-FLUORIDE:SOL-2 STRONTIUM-FLUORIDE:SOL-3 STRONTIUM-HYDRIDE STRONTIUM-IODIDE STRONTIUM-MOLYBDATE STRONTIUM-OXIDE STRONTIUM-PEROXIDE STRONTIUM-MONOHYDROXIDE-GAS STRONTIUM-SULFIDE STRONTIUM-METASILICATE STRONTIUM-SULFATE STRONTIUM-SULFATE:SOL-1 STRONTIUM-SULFATE:SOL-2 STRONTIUM-TITANIUM-TRIOXIDE STRONTIUM-TUNGSTATE STRONTIUM-ZIRCONIUM-TRIOXIDE

INORGANIC Component Databank: Ta

Alias
TA TA2C TA2N TA2O5 TAB2 TABR5 TAC TACL TACL2 TACL2.5 TACL3 TACL4 TACL5 TAF5 TAI5 TAN TAO TAO2 TAO2CL TAOCL3 TAS TAS2

Name
TANTALUM DITANTALUM-CARBIDE DITANTALUM-NITRIDE DITANTALUM-PENTOXIDE TANTALUM-DIBORIDE TANTALUM-PENTABROMIDE TANTALUM-MONOCARBIDE TANTALUM-MONOCHLORIDE-GAS TANTALUM-DICHLORIDE-GAS TANTALUM-2.5-CHLORIDE TANTALUM-TRICHLORIDE TANTALUM-TETRACHLORIDE TANTALUM-PENTACHLORIDE TANTALUM-PENTAFLUORIDE TANTALUM-PENTAIODIDE TANTALUM-MONONITRIDE TANTALUM-MONOXIDE-GAS TANTALUM-DIOXIDE-GAS TANTALUM-CHLORIDE-DIOXIDE TANTALUM-TRICHLORIDE-OXIDE TANTALUM-MONOSULFIDE-GAS TANTALUM-DISULFIDE

Physical Property Data 11.1

Databanks 1-163

INORGANIC Component Databank: Tb

Alias
TB TB2O3 TB:A TB:B TBBR3 TBCL3 TBCL3:A TBCL3:B TBO1.72 TBO1.81 TBO2 TBS TBSE TBTE

Name
TERBIUM DITERBIUM-TRIOXIDE TERBIUM:SOL-A TERBIUM:SOL-B TERBIUM-TRIBROMIDE-GAS TERBIUM-TRICHLORIDE TERBIUM-TRICHLORIDE:SOL-A TERBIUM-TRICHLORIDE:SOL-B TERBIUM-1.72-OXIDE TERBIUM-1.81-OXIDE TERBIUM-DIOXIDE TERBIUM-SULFIDE-GAS TERBIUM-SELENIDE-GAS TERBIUM-TELLURIDE-GAS

INORGANIC Component Databank: Te

Alias
TE TE2 TE2O2 TEBR4 TECL2 TECL4 TEF TEF2 TEF4 TEF5 TEF6 TEO TEO2

Name
TELLURIUM TELLURIUM-DIATOMIC-GAS DITELLURIUM-DIOXIDE-GAS TELLURIUM-TETRABROMIDE TELLURIUM-DICHLORIDE-GAS TELLURIUM-TETRACHLORIDE TELLURIUM-MONOFLUORIDE-GAS TELLURIUM-DIFLUORIDE-GAS TELLURIUM-TETRAFLUORIDE-GAS TELLURIUM-PENTAFLUORIDE-GAS TELLURIUM-HEXAFLUORIDE-GAS TELLURIUM-MONOXIDE-GAS TELLURIUM-DIOXIDE

INORGANIC Component Databank: Th

Alias
TH TH(SO4)2 TH2N2O TH2S3 TH3N4 TH3P4 TH:A TH:B THBR4 THBR4:A THBR4:B THC1.94 THC1.94:A THC1.94:B THC1.94:C THCL4

Name
THORIUM THORIUM-DISULFATE DITHORIUM-DINITRIDE-MONOXIDE DITHORIUM-TRISULFIDE TRITHORIUM-TETRANITRIDE TRITHORIUM-TETRAPHOSPHIDE THORIUM:SOL-A THORIUM:SOL-B THORIUM-TETRABROMIDE THORIUM-TETRABROMIDE:SOL-A THORIUM-TETRABROMIDE:SOL-B THORIUM-1.94-CARBIDE THORIUM-1.94-CARBIDE:SOL-A THORIUM-1.94-CARBIDE:SOL-B THORIUM-1.94-CARBIDE:SOL-C THORIUM-TETRACHLORIDE

1-164 Databanks

Physical Property Data 11.1

Alias
THCL4:A THCL4:B THF2 THF3 THF4 THH2 THI4 THN THO THO2 THOBR2 THOCL2 THOF2 THOI2 THP THRE2 THS THS2

Name
THORIUM-TETRACHLORIDE:SOL-A THORIUM-TETRACHLORIDE:SOL-B THORIUM-DIFLUORIDE-GAS THORIUM-TRIFLUORIDE-GAS THORIUM-TETRAFLUORIDE THORIUM-DIHYDRIDE THORIUM-TETRAIODIDE THORIUM-MONONITRIDE THORIUM-MONOXIDE-GAS THORIUM-DIOXIDE THORIUM-DIBROMIDE-OXIDE THORIUM-DICHLORIDE-OXIDE THORIUM-DIFLUORIDE-OXIDE THORIUM-DIIODIDE-OXIDE THORIUM-MONOPHOSPHIDE THORIUM-2-RHENIUM THORIUM-MONOSULFIDE THORIUM-DISULFIDE

INORGANIC Component Databank: Ti

Alias
TI TI2O3 TI2O3:A TI2O3:B TI3(ASO4)2 TI3O5 TI3O5:A TI3O5:B TI4O7 TI:A TI:B TIB TIB2 TIBR TIBR2 TIBR3 TIBR4 TIC TICL TICL2 TICL3 TICL4 TIF TIF2 TIF3 TIF4 TIH2

Name
TITANIUM DITITANIUM-TRIOXIDE DITITANIUM-TRIOXIDE:SOL-A DITITANIUM-TRIOXIDE:SOL-B TRITITANIUM-DIARSENATE TRITITANIUM-PENTOXIDE TRITITANIUM-PENTOXIDE:SOL-A TRITITANIUM-PENTOXIDE:SOL-B TETRATITANIUM-HEPTAOXIDE TITANIUM:SOL-A TITANIUM:SOL-B TITANIUM-MONOBORIDE TITANIUM-DIBORIDE TITANIUM-MONOBROMIDE-GAS TITANIUM-DIBROMIDE TITANIUM-TRIBROMIDE TITANIUM-TETRABROMIDE TITANIUM-MONOCARBIDE TITANIUM-MONOCHLORIDE-GAS TITANIUM-DICHLORIDE TITANIUM-TRICHLORIDE TITANIUM-TETRACHLORIDE TITANIUM-MONOFLUORIDE-GAS TITANIUM-DIFLUORIDE-GAS TITANIUM-TRIFLUORIDE TITANIUM-TETRAFLUORIDE TITANIUM-DIHYDRIDE

Physical Property Data 11.1

Databanks 1-165

Alias
TII TII2 TII3 TII4 TII4:A TII4:B TIN TIO TIO2 TIO2-A TIO:A TIO:B TIOCL TIOCL2 TIOF TIOF2 TIS TIS2 TIS2:A TIS2:B

Name
TITANIUM-MONOIODIDE-GAS TITANIUM-DIIODIDE TITANIUM-TRIIODIDE TITANIUM-TETRAIODIDE TITANIUM-TETRAIODIDE:SOL-A TITANIUM-TETRAIODIDE:SOL-B TITANIUM-MONONITRIDE TITANIUM-MONOXIDE TITANIUM-DIOXIDE-RUTILE TITANIUM-DIOXIDE-ANATASE TITANIUM-MONOXIDE:SOL-A TITANIUM-MONOXIDE:SOL-B TITANIUM-CHLORIDE-OXIDE-GAS TITANIUM-DICHLORIDE-OXIDE-GAS TITANIUM-FLUORIDE-OXIDE-GAS TITANIUM-DIFLUORIDE-OXIDE-GAS TITANIUM-MONOSULFIDE TITANIUM-DISULFIDE TITANIUM-DISULFIDE:SOL-A TITANIUM-DISULFIDE:SOL-B

INORGANIC Component Databank: Tl

Alias
TL TL2CL2 TL2F2 TL2O TL2O3 TL2S TL2SE TL2SO4 TL2SO4:A TL2SO4:B TL2TE TL:A TL:B TLASO4 TLBR TLCL TLCL3 TLF TLF:A TLF:B TLI TLI:A TLI:B TLSE TLSE:A

Name
THALLIUM DITHALLIUM-DICHLORIDE-GAS DITHALLIUM-DIFLUORIDE-GAS THALLIUM-OXIDE DITHALLIUM-TRIOXIDE THALLIUM-SULFIDE DITHALLIUM-SELENIDE THALLIUM-SULFATE THALLIUM-SULFATE:SOL-A THALLIUM-SULFATE:SOL-B THALLIUM-TELLURIDE THALLIUM:SOL-A THALLIUM:SOL-B THALLIUM-ARSENATE THALLIUM-BROMIDE THALLIUM-CHLORIDE THALLIUM-TRICHLORIDE THALLIUM-FLUORIDE THALLIUM-FLUORIDE:SOL-A THALLIUM-FLUORIDE:SOL-B THALLIUM-IODIDE THALLIUM-IODIDE:SOL-A THALLIUM-IODIDE:SOL-B THALLIUM-SELENIDE THALLIUM-SELENIDE:SOL-A

1-166 Databanks

Physical Property Data 11.1

Alias
TLSE:B

Name
THALLIUM-SELENIDE:SOL-B

INORGANIC Component Databank: Tm

Alias
TM TM2O3 TM2O3:A TM2O3:B TMBR3 TMCL3 TMF3 TMF3:A TMF3:B TMI3

Name
THULIUM DITHULIUM-TRIOXIDE DITHULIUM-TRIOXIDE:SOL-A DITHULIUM-TRIOXIDE:SOL-B THULIUM-TRIBROMIDE-GAS THULIUM-TRICHLORIDE THULIUM-TRIFLUORIDE THULIUM-TRIFLUORIDE:SOL-A THULIUM-TRIFLUORIDE:SOL-B THULIUM-TRIIODIDE-GAS

INORGANIC Component Databank: U

Alias
U U(SO4)2 U2C3 U2S3 U3O8 U4O9 U4O9:1 U4O9:2 U4O9:3 U:A U:B U:C UB12 UB2 UB4 UBR3 UBR4 UBR5 UC UC1.94 UCL3 UCL4 UCL5 UCL6 UF3 UF4 UF4.25 UF4.5 UF5 UF6 UH3-B UI3

Name
URANIUM URANIUM-DISULFATE DIURANIUM-TRICARBIDE DIURANIUM-TRISULFIDE TRIURANIUM-OCTAOXIDEORTHORHOMBI TETRAURANIUM-NONAOXIDE TETRAURANIUM-NONAOXIDE:SOL-1 TETRAURANIUM-NONAOXIDE:SOL-2 TETRAURANIUM-NONAOXIDE:SOL-3 URANIUM:SOL-A URANIUM:SOL-B URANIUM:SOL-C URANIUM-DODECABORIDE URANIUM-DIBORIDE URANIUM-TETRABORIDE URANIUM-TRIBROMIDE URANIUM-TETRABROMIDE URANIUM-PENTABROMIDE URANIUM-MONOCARBIDE URANIUM-1.94-CARBIDE URANIUM-TRICHLORIDE URANIUM-TETRACHLORIDE URANIUM-PENTACHLORIDE URANIUM-HEXACHLORIDE URANIUM-TRIFLUORIDE URANIUM-TETRAFLUORIDE URANIUM-4.25-FLUORIDE URANIUM-4.5-FLUORIDE URANIUM-PENTAFLUORIDE URANIUM-HEXAFLUORIDE URANIUM-TRIHYDRIDE-BETA URANIUM-TRIIODIDE

Physical Property Data 11.1

Databanks 1-167

Alias
UI4 UN UO2 UO2(NO3)2 UO2BR2 UO2CL2 UO2F2 UO2SO4 UO3 UO3*2H2O UO3*H2O UOBR2 UOBR3 UOCL UOCL2 UOCL3 US US2 USE

Name
URANIUM-TETRAIODIDE URANIUM-NITRIDE URANIUM-DIOXIDE URANIUM-DINITRATE-DIOXIDE URANIUM-DIBROMIDE-DIOXIDE URANIUM-DICHLORIDE-DIOXIDE URANIUM-DIFLUORIDE-DIOXIDE URANIUM-SULFATE-DIOXIDE URANIUM-TRIOXIDE-ORTHORHOMBIC URANIUM-TRIOXIDE-DIHYDRATE URANIUM-TRIOXIDE-MONOHYDRATE URANIUM-DIBROMIDE-OXIDE URANIUM-TRIBROMIDE-OXIDE URANIUM-CHLORIDE-OXIDE URANIUM-DICHLORIDE-OXIDE URANIUM-TRICHLORIDE-OXIDE URANIUM-SULFIDE URANIUM-DISULFIDE URANIUM-SELENIDE

INORGANIC Component Databank: V

Alias
V V2C V2O3 V2O4 V2O4:1 V2O4:2 V2O5 V3B2 V3B4 VB VB2 VBR2 VBR3 VBR4 VC0.88 VCL2 VCL3 VCL4 VF3 VF4 VF5 VI2 VI3 VN VN0.465 VO

Name
VANADIUM DIVANADIUM-CARBIDE DIVANADIUM-TRIOXIDE DIVANADIUM-TETRAOXIDE DIVANADIUM-TETRAOXIDE:SOL-1 DIVANADIUM-TETRAOXIDE:SOL-2 DIVANADIUM-PENTAOXIDE TRIVANADIUM-DIBORIDE TRIVANADIUM-TETRABORIDE VANADIUM-BORIDE VANADIUM-DIBORIDE VANADIUM-DIBROMIDE VANADIUM-TRIBROMIDE VANADIUM-TETRABROMIDE-GAS VANADIUM-0.88-CARBIDE VANADIUM-DICHLORIDE VANADIUM-TRICHLORIDE VANADIUM-TETRACHLORIDE VANADIUM-TRIFLUORIDE VANADIUM-TETRAFLUORIDE VANADIUM-PENTAFLUORIDE-GAS VANADIUM-DIIODIDE VANADIUM-TRIIODIDE VANADIUM-NITRIDE VANADIUM-0.465-NITRIDE VANADIUM-OXIDE

1-168 Databanks

Physical Property Data 11.1

Alias
VO2 VOCL3

Name
VANADIUM-DIOXIDE-GAS VANADIUM-TRICHLORIDE-OXIDE

INORGANIC Component Databank: W

Alias
W W(CO)6 W2C W2CL10 W2O6 W3O8 W3O9 W4O12 WBR WBR5 WBR6 WC WCL WCL2 WCL4 WCL5 WCL6 WCL6:A1 WCL6:A2 WCL6:B WF WF6 WO WO2 WO2.72 WO2.90 WO2.96 WO2CL2 WO2I2 WO3 WO3:1 WO3:2 WOCL4 WOF4 WS2

Name
TUNGSTEN TUNGSTEN-HEXACARBONYL DITUNGSTEN-CARBIDE DITUNGSTEN-DECACHLORIDE-GAS DITUNGSTEN-HEXAOXIDE-GAS TRITUNGSTEN-OCTAOXIDE-GAS TRITUNGSTEN-NONAOXIDE-GAS TETRATUNGSTEN-DODECAOXIDE-GAS TUNGSTEN-BROMIDE-GAS TUNGSTEN-PENTABROMIDE TUNGSTEN-HEXABROMIDE TUNGSTEN-CARBIDE TUNGSTEN-CHLORIDE-GAS TUNGSTEN-DICHLORIDE TUNGSTEN-TETRACHLORIDE TUNGSTEN-PENTACHLORIDE TUNGSTEN-HEXACHLORIDE TUNGSTEN-HEXACHLORIDE:S.-A1 TUNGSTEN-HEXACHLORIDE:S.-A2 TUNGSTEN-HEXACHLORIDE:SOL-B TUNGSTEN-FLUORIDE-GAS TUNGSTEN-HEXAFLUORIDE-GAS TUNGSTEN-OXIDE-GAS TUNGSTEN-DIOXIDE TUNGSTEN-2.72-OXIDE TUNGSTEN-2.90-OXIDE TUNGSTEN-2.96-OXIDE TUNGSTEN-DICHLORIDE-DIOXIDE TUNGSTEN-DIIODIDE-DIOXIDE-GAS TUNGSTEN-TRIOXIDE TUNGSTEN-TRIOXIDE:SOL-1 TUNGSTEN-TRIOXIDE:SOL-2 TUNGSTEN-TETRACHLORIDE-OXIDE TUNGSTEN-TETRAFLUORIDE-OXIDE TUNGSTEN-DISULFIDE

INORGANIC Component Databank: Y

Alias
Y Y2O3 Y2O3:A Y2O3:B Y2ZR2O7 Y:A

Name
YTTRIUM DIYTTRIUM-TRIOXIDE DIYTTRIUM-TRIOXIDE:SOL-A DIYTTRIUM-TRIOXIDE:SOL-B DIYTTRIUM-DIZIRCONIUM-HEPTAOXIDE YTTRIUM:SOL-A

Physical Property Data 11.1

Databanks 1-169

Alias
Y:B YASO4 YCL3 YF3 YF3:A YF3:B YI3 YN

Name
YTTRIUM:SOL-B YTTRIUM-ARSENATE YTTRIUM-TRICHLORIDE YTTRIUM-TRIFLUORIDE YTTRIUM-TRIFLUORIDE:SOL-A YTTRIUM-TRIFLUORIDE:SOL-B YTTRIUM-TRIIODIDE YTTRIUM-NITRIDE

INORGANIC Component Databank: Yb

Alias
YB YB2O3 YB2O3:A YB2O3:B YB:A YB:B YBCL2 YBCL3

Name
YTTERBIUM DIYTTERBIUM-TRIOXIDE DIYTTERBIUM-TRIOXIDE:SOL-A DIYTTERBIUM-TRIOXIDE:SOL-B YTTERBIUM:SOL-A YTTERBIUM:SOL-B YTTERBIUM-DICHLORIDE YTTERBIUM-TRICHLORIDE

INORGANIC Component Databank: Zn

Alias
ZN ZN2SIO4 ZN2TIO4 ZN3(ASO4)2 ZN3(PO4)2 ZN3AS2 ZN3AS2:1 ZN3AS2:2 ZN3AS2:3 ZN3N2 ZN3O(SO4)2 ZN3P2 ZN3P2:1 ZN3P2:2 ZN3PO4-2:A ZN3PO4-2:B ZNBR2 ZNCL2 ZNCO3 ZNF2 ZNF2:A ZNF2:B ZNI2 ZNO ZNP2 ZNS ZNS-S

Name
ZINC ZINC-ORTHOSILICATE-WILLEMITE DIZINC-TITANIUM-TETRAOXIDE ZINC-ARSENATE ZINC-PHOSPHATE ZINC-ARSENIDE ZINC-ARSENIDE:SOL-1 ZINC-ARSENIDE:SOL-2 ZINC-ARSENIDE:SOL-3 ZINC-NITRIDE TRIZINC-DISULFATE-OXIDE TRIZINC-DIPHOSPHIDE TRIZINC-DIPHOSPHIDE:SOL-1 TRIZINC-DIPHOSPHIDE:SOL-2 ZINC-PHOSPHATE:SOL-A ZINC-PHOSPHATE:SOL-B ZINC-BROMIDE ZINC-CHLORIDE ZINC-CARBONATE ZINC-FLUORIDE ZINC-FLUORIDE:SOL-A ZINC-FLUORIDE:SOL-B ZINC-IODIDE ZINC-OXIDE ZINC-DIPHOSPHIDE ZINC-SULFIDE-WURTZITE ZINC-SULFIDE-SPHALERITE

1-170 Databanks

Physical Property Data 11.1

Alias
ZNSE ZNSEO3 ZNSIO3 ZNSO4 ZNSO4*2H2O ZNSO4*6H2O ZNSO4*7H2O ZNSO4*H2O ZNSO4:1 ZNSO4:2 ZNTE ZNWO4

Name
ZINC-SELENIDE ZINC-SELENITE ZINC-METASILICATE ZINC-SULFATE ZINC-SULFATE-DIHYDRATE ZINC-SULFATE-HEXAHYDRATE ZINC-SULFATE-HEPTAHYDRATE ZINC-SULFATE-MONOHYDRATE ZINC-SULFATE:SOL-1 ZINC-SULFATE:SOL-2 ZINC-TELLURIDE ZINC-TUNGSTATE

INORGANIC Component Databank: Zr

Alias
ZR ZR:A ZR:B ZRB2 ZRBR ZRBR2 ZRBR3 ZRBR4 ZRC ZRCL ZRCL2 ZRCL3 ZRCL4 ZRF ZRF2 ZRF3 ZRF4 ZRF4:A ZRF4:B ZRH ZRI ZRI2 ZRI3 ZRI4 ZRN ZRO ZRO2 ZRO2:A ZRO2:B ZRS ZRS2 ZRSIO4

Name
ZIRCONIUM ZIRCONIUM:SOL-A ZIRCONIUM:SOL-B ZIRCONIUM-DIBORIDE ZIRCONIUM-MONOBROMIDE-GAS ZIRCONIUM-DIBROMIDE ZIRCONIUM-TRIBROMIDE ZIRCONIUM-TETRABROMIDE ZIRCONIUM-CARBIDE ZIRCONIUM-MONOCHLORIDE-GAS ZIRCONIUM-DICHLORIDE ZIRCONIUM-TRICHLORIDE ZIRCONIUM-TETRACHLORIDE ZIRCONIUM-MONOFLUORIDE-GAS ZIRCONIUM-DIFLUORIDE ZIRCONIUM-TRIFLUORIDE ZIRCONIUM-TETRAFLUORIDE ZIRCONIUM-TETRAFLUORIDE:SOL-A ZIRCONIUM-TETRAFLUORIDE:SOL-B ZIRCONIUM-HYDRIDE-GAS ZIRCONIUM-MONOIODIDE-GAS ZIRCONIUM-DIIODIDE ZIRCONIUM-TRIIODIDE ZIRCONIUM-TETRAIODIDE ZIRCONIUM-NITRIDE ZIRCONIUM-MONOXIDE-GAS ZIRCONIUM-DIOXIDE ZIRCONIUM-DIOXIDE:SOL-A ZIRCONIUM-DIOXIDE:SOL-B ZIRCONIUM-MONOSULFIDE-GAS ZIRCONIUM-DISULFIDE ZIRCONIUM-ORTHOSILICATE

Physical Property Data 11.1

Databanks 1-171

INORGANIC Component Databank: Other Elements

Alias

Name

ALBITE-HIGH NAALSI3O8-H ALUNITE KAL3(OH)6(SO4)2 AM AMERICIUM AM:A AMERICIUM:SOL-A AM:B AMERICIUM:SOL-B AM:C AMERICIUM:SOL-C ANALCITE NAALSI2O6*H2O ANDRADITE CA3FE2SI3O12 ANNITE KFE3(ALSI3)O10(OH)2 ANTHOPHYLLIT ANTHOPHYLLITE ANTIGORITE MG48SI34O85(OH)62 AR ARGON ARTINITE MG2(OH)2(CO3)*3H2O AZURITE CU3(OH)2(CO3)2 BR BROMINE-MONATOMIC-GAS BR2 BROMINE CHRYSOTILE MG3SI2O5(OH)4 CLINOCHL-14A MG5AL(ALSI3)O10(OH)8-14A CLINOCHLO-7A MG5AL(ALSI3)O10(OH)8-7A CLINOZOISITE CA2AL3SI3O12(OH)-C CORDIERITE-H MG2AL3(ALSI5)O18*H20 DIASPORE-D ALO(OH)-D DICKITE AL2SI2O7*2H2O-D DOLOMITE-D CAMG(CO3)2-D DOLOMITE-O CAMG(CO3)2-O EELECTRON-GAS EPIDOTE CA2FEAL2SI3O12(OH) EPIDOTE-O CA2FEAL2SI3O12(OH)-O F FLUORINE-MONATOMIC-GAS F2 FLUORINE HALLOYSITE AL2SI2O7*2H2O-H HE HELIUM HEDENBERGITE CAFE(SIO3)2 HUNTITE CAMG3(CO3)4 HYDROMAGNES MG5(OH)2(CO3)4*4H20 I I IODINE-MONATOMIC-GAS I2 IODINE KAOLINITE AL2SI2O7*2H2O KR KRYPTON LAUMONTITE CA(AL2SI4)O12*4H2O LAWSONITE CAAL2SI2O8*2H2O LU LUTETIUM LU2O3 LUTETIUM-OXIDE MALACHITE CU2(OH)2(CO3) MARGARITE CAAL2(AL2SI2)O10(OH)2 MUSCOVITE KAL3SI3O10(OH)2

1-172 Databanks

Physical Property Data 11.1

Alias
NE NESQUEHONITE PA PA:A PA:B PARAGONITE PARGASITE PHLOGOPITE PREHNITE PYROPHYLLITE RN-G SEPIOLITE TALC TC TC2O7 TCO2 TCO3 TREMOLITE WAIRAKITE XE ZOISITE

Name
NEON MGCO3*3H2O PROTACTINIUM PROTACTINIUM:SOL-A PROTACTINIUM:SOL-B NAAL2(ALSI3)O10(OH)2 NA(CA2MG4AL)(AL2SI6)O22(OH)2 KMG3(ALSI3)O10(OH)2 CA2AL2SI3O10(OH)2 AL2SI4O10(OH)2 RADON-MONATOMIC-GAS MG4SI6O15(OH)2(H2O)2*4H2O MG3SI4O10(OH)2 TECHNETIUM DITECHNETIUM-HEPTAOXIDE TECHNETIUM-DIOXIDE TECHNETIUM-TRIOXIDE CA2MG5SI8O23*H2O CA(AL2SI4)O12*2H2O XENON CA2AL3SI3O12(OH)-A

Physical Property Data 11.1

Databanks 1-173

Solids Component Databank

The tables below list the components present in the SOLIDS component databank. Components beginning with: Ag Ce Gd Mn Pd Sr Zn
SOLIDS Component Databank Parameters

Al Co H Mo Pr Tb Zr

Au Cr Hg N Pt Th

B Cs Ho Na Ra Ti

Ba Cu In Nb Rb Tl

Be Dy K Nd Sb U

Bi Er La Ni Sc V

C Eu Li P Si W

Ca Fe Lu Pa Sm Y

Cd Ga Mg Pb Sn Yb

Other Elements
Description

Parameter Name

ATOMNO

CPIG CPSPO1 DGFORM DGSFRM DHFORM DHLSF DHSFRM DHVLB DHVLWT MW NOATOM

OMEGA PC PLXANT PSANT TB TC TFP

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ideal gas heat capacity coefficient Solid heat capacity coefficients Standard free energy of formation Solids free energy of formation at 25C Standard heat of formation Heat of fusion at TFP Solids heat of formation at 25C Heat of vaporization at TB Watson heat of vaporization parameters Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Pitzer acentric factor Critical pressure Antoine liquid vapor pressure coefficients Antoine solid vapor pressure coefficients Boiling point Critical temperature Freezing point

1-174 Databanks

Physical Property Data 11.1

Parameter Name

Description

VC VSPOLY ZC

Critical volume Solid molar volume coefficients Critical compressibility factor

Vectors ATOMNO and NOATOM together form the chemical formula of the compound. They are used to calculate molecular weight and are used in RGIBBS DGFORM and DHFORM are calculated for Ideal gas at 25C
SOLIDS Component Databank: Ag
Alias
AG AG2C2 AG2C2O4 AG2H3IO6 AG2HGI4 AG2HVO4 AG2MOO4 AG2N2O2 AG2PTBR6 AG2PTCL6 AG2S2O6*2W AG2SEO3 AG2SEO4 AG2SO3 AG3C2CL AG3C2I AG3C2NO3 AG3H2VO5 AG3I4H*7W AG3IN2O6 AG3N AG3P3O9*W AG3PO4 AG4C2I2 AG4C2SO4 AG4FEC6N6*W AG4P2O7 AG5C4CL AG6C4SO4 AGAUF4 AGBR AGBR*1.5NH3 AGBR4AL AGBR7AL2 AGBRCH5N AGBRNH3

Name
SILVER AG2C2 AG2C2O4 AG2H3IO6 AG2HGI4 AG2HVO4 AG2MOO4 AG2N2O2 AG2PTBR6 AG2PTCL6 AG2S2O6*2H2O AG2SEO3 AG2SEO4 AG2SO3 AG2C2*AGCL AG2C2*AGI AG2C2*AGNO3 AG2HVO4*AGOH (AGI)3*HI*7H2O AG3I(NO3)2 AG3N (AGPO3)3*H2O AG3PO4 AG2C2*2AGI AG2C2*AG2SO4 AG4FE(CN)6*H2O AG4P2O7 (AG2C2)2*AGCL (AG2C2)2*AG2SO4 AGAUF4 SILVER-BROMIDE AGBR*1.5NH3 AGBR*ALBR3 AGBR*2ALBR3 AGBR*CH3NH2 AGBR*NH3

Physical Property Data 11.1

Databanks 1-175

Alias
AGCH3CO2 AGCL AGCL*1.5NH3 AGCL*NH3 AGCL4AL AGCLCH5N AGCLO2 AGCLO4 AGCN2 AGCN2H3 AGF*2W AGF*4W AGF2 AGI AGI*0.5NH3 AGI*0.5PH3 AGINH3 AGIO3 AGN2H6CLO4 AGN3 AGN3H6O3 AGN3H9BR AGN3H9CL AGN3H9CLO4 AGN4H9O3 AGNO2 AGOCN AGONC AGREO4 AGSCN AGVO3

Name
SILVER-ACETATE SILVER-CHLORIDE AGCL*1.5NH3 AGCL*NH3 AGCL*ALCL3 AGCL*CH3NH2 AGCLO2 AGCLO4 SILVER-CYANAMIDE AGCN*NH3 AGF*2H2O AGF*4H2O AGF2 SILVER-IODIDE AGI*0.5NH3 AGI*0.5PH3 AGI*NH3 AGIO3 AG(NH3)2CLO4 AGN3 AG(NH3)2NO3 AG(NH3)3BR AG(NH3)3CL AG(NH3)3CLO4 AG(NH3)3NO3 AGNO2 SILVER-CYANATE SILVER-FULMINATE AGREO4 SILVER-THIOCYANATE AGVO3

SOLIDS Component Databank: Al

Alias
AL AL(OH)3 AL2CL9ZN1.5 AL2NABR6CL AL2NABR7 AL2O3 AL2O3-2 AL2S3O12*18W AL2S3O12*6W AL2SIO5-S AL6SI2O13 ALB12-A ALBR3*14NH3 ALBR3*3NH3

Name
ALUMINIUM ALUMINIUM-HYDROXIDE AL2CL6*1.5ZNCL2 (ALBR3)2*NACL (ALBR3)2*NABR ALUMINIUM-OXIDE-ALPHA-CORUNDUM ALUMINIUM-OXIDE-ALUMINA AL2(SO4)3*18H2O ALUMINUM-SULFATE-HEXAHYDRATE ALUMINIUM-SILICATE-SILLIMANITE MULLITE ALB12-ALPHA ALBR3*14NH3 ALBR3*3NH3

1-176 Databanks

Physical Property Data 11.1

Alias
ALBR3*5NH3 ALBR3*6NH3 ALBR3*7NH3 ALBR3*9NH3 ALBR3*H2S ALBR3*NABR ALBR3*NACL ALBR3*NH3 ALBR3*PH3 ALC3H9 ALC6H9O6 ALCL3*0.5SO2 ALCL3*14NH3 ALCL3*3NH3 ALCL3*5NH3 ALCL3*6NH3 ALCL3*7NH3 ALCL3*H2S ALCL3*NABR ALCL3*NACL ALCL3*NH3 ALCL3*NH4CL ALCL3*PH3 ALCL3*SO2 ALCL4N7H22 ALI3*13NH3 ALI3*20NH3 ALI3*2H2S ALI3*3NH3 ALI3*5NH3 ALI3*6NH3 ALI3*7NH3 ALI3*9NH3 ALI3*NH3 ALN3O9*6W ALN3O9*9W ALO(OH)

Name
ALBR3*5NH3 ALBR3*6NH3 ALBR3*7NH3 ALBR3*9NH3 ALBR3*H2S ALBR3*NABR ALBR3*NACL ALBR3*NH3 ALBR3*PH3 AL(CH3)3 ALUMINUM-ACETATE ALCL3*0.5SO2 ALCL3*14NH3 ALCL3*3NH3 ALCL3*5NH3 ALCL3*6NH3 ALCL3*7NH3 ALCL3*H2S ALCL3*NABR ALCL3*NACL ALCL3*NH3 ALCL3*NH4CL ALCL3*PH3 ALCL3*SO2 ALCL3*NH4CL*6NH3 ALI3*13NH3 ALI3*20NH3 ALI3*2H2S ALI3*3NH3 ALI3*5NH3 ALI3*6NH3 ALI3*7NH3 ALI3*9NH3 ALI3*NH3 ALUMINUM-NITRATE-HEXAHYDRATE ALUMINUM-NITRATE-NONAHYDRATE BOEHMITE-ALO(OH)

SOLIDS Component Databank: Au

Alias
AU AU2PB AUBR*2NH3 AUBR*3NH3 AUBR*4NH3 AUBR*6NH3 AUBR*NH3 AUBR3

Name
GOLD AU2PB AUBR*2NH3 AUBR*3NH3 AUBR*4NH3 AUBR*6NH3 AUBR*NH3 AUBR3

Physical Property Data 11.1

Databanks 1-177

Alias
AUCL*2NH3 AUCL*NH3 AUCL3*2W AUI*2NH3 AUI*3NH3 AUI*6NH3 AUI*NH3 AUI*PH3 AUIN AUIN2 AUPB2

Name
AUCL*2NH3 AUCL*NH3 AUCL3*2H2O AUI*2NH3 AUI*3NH3 AUI*6NH3 AUI*NH3 AUI*PH3 AUIN AUIN2 AUPB2

SOLIDS Component Databank: B

Alias
B B10H14 B13P2 B2O3 B3N3H3CL3 BC4H12NH2 BF3*PC3H9 BH3NH2CH3 BO3C3H9*NH3 BO3C6H12N

Name
BORON DECABORANE B13P2 BORON-OXIDE TRICHLOROBORAZOLE-BETA B(CH3)3*NH2CH3 BF3*P(CH3)3 BH3NH2CH3 B(OCH3)3*NH3 TRIETHANOLAMINE-BORATE

SOLIDS Component Databank: Ba

Alias

Name

BA BARIUM BA(C2H5O)2 BA(C2H5O)2 BA(CH3CO2)2 BA(CH3CO2)2 BA(CH3CO3)2 BA(CH2OHCO2)2 BA(CN)2 BA(CN)2 BA(CN)2*2W BA(CN)2*2H2O BA(CN)2*W BA(CN)2*H2O BA(CNO)2 BA(CNO)2 BA(H2PO2)2*W BA(H2PO2)2*H2O BA(H2PO4)2 BA(H2PO4)2 BA(HCO2)2 BA(HCO2)2 BA(IO3)2 BA(IO3)2 BA(IO3)2*W BA(IO3)2*H2O BA(NH2)2 BA(NH2)2 BA(NH3)6 BA(NH3)6 BA(NO2)2 BA(NO2)2 BA(NO2)2*W BA(NO2)2*H2O BA(REO4)2*4W BA(REO4)2*4H2O BA2AL2O5*5W (BAO)2*AL2O3*5H2O BA2N BA2N BA2NBR BA2NBR BA2NCL BA2NCL

1-178 Databanks

Physical Property Data 11.1

Alias

Name

BA2TL(NO2)5 (BA(NO2)2)2*TLNO2 BA3(ASO4)2-P BARIUM-ARSENATE-PRECIPITATE BA3(RHCL6)2 BA3(RHCL6)2 BA3AL4CL18 (BACL2)3*2AL2CL6 BA3P2O8 BA3(PO4)2-COLLOIDAL BA3WO6 BA3WO6 BA6NI9 BA6NI9 BAAL4 BAAL4 BABR2*2NH3 BABR2*2NH3 BABR2*2W BABR2*2H2O BABR2*4NH3 BABR2*4NH3 BABR2*8NH3 BABR2*8NH3 BABR2*BAO*2W BABR2*BAO*2H2O BABR2*BAO*5W BABR2*BAO*5H2O BABR2*NH3 BABR2*NH3 BABR2*W BABR2*H2O BABR2O6 BA(BRO3)2 BABR2O6*W BA(BRO3)2*H2O BAC2O4 BAC2O4 BAC2O4*0.5W BAC2O4*0.5H2O BAC2O4*2W BAC2O4*2H2O BAC2O4*3.5W BAC2O4*3.5H2O BAC4H14S2O10 BA(C2H5SO4)2*2H2O BAC4H6O4*3W BA(CH3CO2)2*3H2O BACA(CO3)2 BACA(CO3)2 BACL2*2W BACL2*2H2O BACL2*8NH3 BACL2*8NH3 BACL2*AL2CL6 BACL2*AL2CL6 BACL2*BAO*3W BACL2*BAO*3H2O BACL2*BAO*5W BACL2*BAO*5H2O BACL2*BAO*8W BACL2*BAO*8H2O BACL2*W BACL2*H2O BACL2O4 BA(CLO2)2 BACL2O4*3.5W BA(CLO2)2*3.5H2O BACL2O6 BA(CLO3)2 BACL2O6*W BA(CLO3)2*H2O BACL2O8 BA(CLO4)2 BACL2O8*2NH3 BA(CLO4)2*2NH3 BACL2O8*3W BA(CLO4)2*3H2O BACL2O8*6NH3 BA(CLO4)2*6NH3 BACLF BACLF BACLH BACLH BACN2 BACN2 BACO3 BARIUM-CARBONATE BACS3 BACS3 BAF2 BARIUM-FLUORIDE BAH4AS2O8*2W BA(H2ASO4)2*2H2O

Physical Property Data 11.1

Databanks 1-179

Alias
BAH4P2O4 BAH4S3O12*W BAHASO4*W BAHPO4 BAI2*10NH3 BAI2*2.5W BAI2*2NH3 BAI2*2PBI BAI2*2SO2 BAI2*2W BAI2*4NH3 BAI2*4SO2 BAI2*6NH3 BAI2*7W BAI2*8NH3 BAI2*9NH3 BAI2*BAO*2W BAI2*BAO*9W BAI2*W BAIH BAMG2 BAMNO4 BAMOO3 BAN2 BAN6*W BANH BAO*2SIO2 BAO*AL2O3 BAO*AL2O3*2W BAO*AL2O3*4W BAO*AL2O3*7W BAO*AL2O3*W BAO*GEO2 BAO*SIO2 (BAO)2*3SIO2 (BAO)2*GEO2 (BAO)2*SIO2 (BAO)3*AL2O3 (BAO)3*GEO2 3BAO*4C2H6O 3BAO*4CH4O BAO2H2*3W BAO2H2*8W BAO2H2*W BAOSCL6 BAPB2I6*7W BAPDCL4

Name
BA(H2PO2)2 BASO4*2H2SO4*H2O BAHASO4*H2O BAHPO4 BAI2*10NH3 BAI2*2.5H2O BAI2*2NH3 BAI2*2PBI2 BAI2*2SO2 BAI2*2H2O BAI2*4NH3 BAI2*4SO2 BAI2*6NH3 BAI2*7H2O BAI2*8NH3 BAI2*9NH3 BAI2*BAO*2H2O BAI2*BAO*9H2O BAI2*H2O BAIH BAMG2 BAMNO4 BAMOO3 BAN2 BA(N3)2*H2O BANH BAO*2SIO2 BAO*AL2O3 BAO*AL2O3*2H2O BAO*AL2O3*4H2O BAO*AL2O3*7H2O BAO*AL2O3*H2O BAO*GEO2 BAO*SIO2 (BAO)2*3SIO2 (BAO)2*GEO2 (BAO)2*SIO2 (BAO)3*AL2O3 (BAO)3*GEO2 (BAO)3*4C2H5OH (BAO)3*4CH3OH BA(OH)2*3H2O BA(OH)2*8H2O BA(OH)2*H2O BAOSCL6 BAI2*2PBI2*7H2O BAPDCL4

1-180 Databanks

Physical Property Data 11.1

Alias
BAPTCL6 BAPTCL6*6W BARUO4*W BAS2O3 BAS2O6*2W BAS2O8*4W BAS4O6*2W BASE BASEO3 BASEO4 BASIF6 BASO3 BASO4 BASO4*H2SO4 BASRTIO4

Name
BAPTCL6 BAPTCL6*6H2O BARUO4*H2O BAS2O3 BAS2O6*2H2O BAS2O8*4H2O BAS4O6*2H2O BASE BASEO3 BASEO4 BASIF6 BASO3 BARIUM-SULFATE BASO4*H2SO4 BASRTIO4

SOLIDS Component Databank: Be

Alias
BE BE2SIO4 BE3B2O6 BEBR2*10NH3 BEBR2*2H2S BEBR2*4NH3 BEBR2*6NH3 BECL2*12NH3 BECL2*2NH3 BECL2*4NH3 BECL2*4W BECL2*6NH3 BECO3 BEH2 BEI2*13NH3 BEI2*2H2S BEI2*4NH3 BEI2*6NH3 BEMOO4 BEO*3AL2O3 BEO*AL2O3 BESEO4 BESEO4*2W BESEO4*4W BESO4 BESO4*W

Name
BERYLLIUM BERYLLIUM-SILICATE-PHENACITE TRIBERYLLIUM-DIBORATE BEBR2*10NH3 BEBR2*2H2S BEBR2*4NH3 BEBR2*6NH3 BECL2*12NH3 BECL2*2NH3 BECL2*4NH3 BECL2*4H2O BECL2*6NH3 BECO3 BEH2 BEI2*13NH3 BEI2*2H2S BEI2*4NH3 BEI2*6NH3 BEMOO4 BEO*3AL2O3 BEO*AL2O3 BESEO4 BESEO4*2H2O BESEO4*4H2O BERYLLIUM-SULFATE BESO4*H2O

Physical Property Data 11.1

Databanks 1-181

SOLIDS Component Databank: Bi

Alias
BI BI(OH)2CL BI(OH)3 BIOBR BIONO3 BIOOH

Name
BISMUTH BI(OH)2CL BISMUTH-HYDROXIDE BIOBR BIONO3 BIOOH

SOLIDS Component Databank: C

Alias
C C2H4O8S2K2 C2H5OK C2O3.5H4NA C2O4H3NA C3H9AS*BC3H9 C3H9AS*BF3 C3H9B*NH3 C3H9N*ALBR3 C3H9N*ALCL3 C3H9N*BC3H9 C3H9N*BH3 C3H9NB3H7 C3H9P*BC3H9 C4H11N*BC3H9 C4H11O2CS C4H11O2K C4H12N*BH4 CCL3COONA CH2OHCOONA CH2SO4 CH3COOK CH3COONH4

Name
CARBON-GRAPHITE C2H2O2*2KHSO3 C2H5OK CH2OHCOONA*0.5H2O CH(OH)2COONA (CH3)3AS*B(CH3)3 (CH3)3AS*BF3 (CH3)3B*NH3 (CH3)3N*ALBR3 (CH3)3N*ALCL3 (CH3)3N*B(CH3)3 (CH3)3N*BH3 (CH3)3NB3H7 (CH3)3P*B(CH3)3 (C2H5)2NH*B(CH3)3 C2H5OCS*C2H5OH C2H5OK*C2H5OH (CH3)4N*BH4 CCL3COONA CH2OHCOONA METHYLENE-SULFATE CH3COOK AMMONIUM-ACETATE

SOLIDS Component Databank: Ca

Alias
CA CA(OH)2 CA10P6O24F2 CA10P6O26H2 CA12AL14O33 CA2AL2O5 CA2AL2O5*5W CA2AL2SIO7 CA2B2O5 CA2B2SI2O9 CA2B2SI2O9*W CA2B6O11 CA2B6O11*13W CA2FE2O5

Name
CALCIUM CALCIUM-HYDROXIDE CA10(PO4)6F2 CA10(PO4)6(OH)2 (CAO)12*7AL2O3 (CAO)2*AL2O3 (CAO)2*AL2O3*5H2O GEHLENITE DICALCIUM-DIBORATE (CAO)2*B2O3*2SIO2 (CAO)2*B2O3*2SIO2*H2O (CAO)2*3B2O3 (CAO)2*3B2O3*13H2O DICALCIUM-DIIRON-PENTAOXIDE

Physical Property Data 11.1

Alias
CE3AL CEAL2 CEAL4 CEAS CECL3*12NH3 CECL3*20NH3 CECL3*2NH3 CECL3*4NH3 CECL3*7W CECL3*8NH3 CEF3*W CEHG4 CEI3O9 CEI3O9*2W CEN3O9 CEN3O9*3W CEN3O9*4W CEN3O9*6W CEOCL CES2 CEZN

Name
CE3AL CEAL2 CEAL4 CEAS CECL3*12NH3 CECL3*20NH3 CECL3*2NH3 CECL3*4NH3 CECL3*7H2O CECL3*8NH3 CEF3*H2O CEHG4 CE(IO3)3 CE(IO3)3*2H2O CE(NO3)3 CE(NO3)3*3H2O CE(NO3)3*4H2O CE(NO3)3*6H2O CEOCL CES2 CEZN

SOLIDS Component Databank: Co

Alias
CO2AL5 CO2AS CO2AS3 CO2C CO2N11H17O13 CO2N12H18O12 CO2S3 CO2SI CO2SIO4 CO3AS2 CO3N18H27O18 CO3P2O8 CO3TE4 CO3W CO4N24H36O24 CO4SO10H6 CO5AS2 CO5N30H45O30 CO5TE6 COAL COAL2 COAL4 COAS COAS2

Name
CO2AL5 CO2AS CO2AS3 CO2C (CO(NH3)5H2O)(CO(NO2)6) (CO(NH3)6)(CO(NO2)6) CO2S3 CO2SI DICOBALT-SILICATE CO3AS2 (CO(NH3)5NO2)(CO(NH3)2(NO2)4)2 CO3(PO4)2 CO3TE4 CO3W (CO(NH3)6)(CO(NH3)2(NO2)4)3 COSO4*3CO(OH)2 CO5AS2 (CO(NH3)5NO2)3(CO(NO2)6)2 CO5TE6 COAL COAL2 COAL4 COAS COAS2

Physical Property Data 11.1

Databanks 1-187

Alias
COB2O4 COBALT COBR2*2N2H4 COBR2*2NH3 COBR2*6W COBR2*NH3 COBR2C2H8O2 COBR2C4H12O2 COBR2C4H12O4 COBR2C6H18O3 COBR2C6H18O6 COC2N2O2 COC2N2S2 COC2O4 COCL2 COCL2*2N2H4 COCL2*2NH3 COCL2*2W COCL2*6W COCL2*NH3 COCL2*W COCL2C4H12O2 COCL2C6H18O3 COCL2C6H18O6 COCL2O8*6W COH2C2O4 COHPO4 COI2*2NH3 COI2O6*2W CON12H9 CON13H12-C CON13H12-T CON14H15 CON15H18 CON2H8C2CL2 CON2O6*2W CON2O6*3W CON2O6*4W CON2O6*6W CON3H12C3CL2 CON4H12CL3 CON4H16C4CL3 CON4H16O2CL3 CON5H10C2O8 CON5H15BR3 CON5H15CL3 CON5H15CLBR2

Name
CO(BO2)2 COBALT COBR2*2N2H4 COBR2*2NH3-ROSE COBR2*6H2O COBR2*NH3 COBR2*2CH3OH COBR2*2C2H5OH COBR2*2C2H4(OH)2 COBR2*3C2H5OH COBR2*3C2H4(OH)2 CO(CNO)2 CO(CNS)2 COBALT-OXALATE COCL2 COCL2*2N2H4 COCL2*2NH3-ROSE COCL2*2H2O COCL2*6H2O COCL2*NH3 COCL2*H2O COCL2*2C2H5OH COCL2*3C2H5OH COCL2*3C2H4(OH)2 CO(CLO4)2*6H2O CO(HCO2)2 COHPO4 COI2*2NH3-BLUE CO(IO3)2*2H2O (CO(NH3)3(N3)3) (CO(NH3)4(N3)2)N3-CIS (CO(NH3)4(N3)2)N3-TRANS (CO(NH3)5N3)(N3)2 (CO(NH3)6)(N3)3 (CO(C2H4(NH2)2))CL2 CO(NO3)2*2H2O CO(NO3)2*3H2O CO(NO3)2*4H2O CO(NO3)2*6H2O COCL2*1.5C2H4(NH2)2 (CO(NH3)4CL2)CL-CIS (CO(C2H4(NH2)2)2CL2)CL (CO(NH3)4(H2O)2)CL3 NH4(CO(NH3)2(NO2)2C2O4) (CO(NH3)5BR)BR2 (CO(NH3)5CL)CL2 (CO(NH3)5CL)BR2

1-188 Databanks

Databanks 1-191

Alias
CS2TICL4 CS2TICL6 CS2U2O7 CS2UBR6 CS2UCL6 CS2UO4 CS2ZNBR4 CS2ZNCL4 CS2ZNI4 CS2ZRBR6 CS2ZRCL6 CS3COCL5 CS3CR2CL9 CS3CRCL6 CS3CUCL5 CS3FECL5 CS3MNCL5 CS3NICL5 CS3TI2BR9 CS3TIBR6 CS3UO2F5 CS3V2CL9 CS3VCL6 CS4THCL8 CS5U2O4F9 CSALH4 CSALS2O8*12W CSB(CLO4)4 CSBA2N5O10 CSBCL4 CSBF4 CSBO2 CSBR2CL CSBR3 CSBRCL2 CSBRO3 CSC10 CSC24 CSC36 CSC48 CSC60 CSC72 CSC8 CSCACL3 CSCL*ZNSO4 CSCLO3 CSCLO4

Name
CS2TICL4 CS2TICL6 CS2U2O7 CS2UBR6 CS2UCL6 CS2UO4 CS2ZNBR4 CS2ZNCL4 CS2ZNI4 CS2ZRBR6 CS2ZRCL6 CS3COCL5 CS3CR2CL9 CS3CRCL6 CS3CUCL5 CS3FECL5 CS3MNCL5 CS3NICL5 CS3TI2BR9 CS3TIBR6 CS3UO2F5 CS3V2CL9 CS3VCL6 CS4THCL8 CS5(UO2)2F9 CSALH4 CSAL(SO4)2*12H2O CSB(CLO4)4 CSNO2*2BA(NO2)2 CSBCL4 CSBF4 CSBO2 CSBR2CL CSBR3 CSBRCL2 CSBRO3 CSC10 CSC24 CSC36 CSC48 CSC60 CSC72 CSC8 CSCACL3 CSCL*ZNSO4 CSCLO3 CSCLO4

1-192 Databanks

Alias
CUBR2*6NH3 CUC2H2O4 CUC2H2O4*4W CUC2O4 CUC4H12O4N2 CUC4H12O6N2 CUC4H14N4O4 CUC4H24O4N6 CUC4H24O6N6 CUC4H6O4 CUC4H6O4*W CUC4H6O6 CUCL*1.5NH3 CUCL*2PH3 CUCL*3NH3 CUCL*NH3 CUCL*PH3 CUCL2*10NH3 CUCL2*2NH3 CUCL2*2W CUCL2*4NH3W2 CUCL2*5NH3 CUCL2*6NH3 CUCL2C2H8O2 CUCL2C4H12O2 CUCL2O8*6W CUCL4N2H8 CUCL4N2H8*2W CUCNS CUH CUH14C2O4N4 CUH20C2O4N6 CUH8C2O4N2 CUI*0.5NH3 CUI*2NH3 CUI*2PH3 CUI*3NH3 CUI*NH3 CUI*PH3 CUI2O6*W CUN2H8C4O4*W CUN2H8C4O4-A CUN2H8C4O4-B CUN2O6 CUN2O6*3W CUN2O6*6W CUN3

Name
CUBR2*6NH3 CU(CHO2)2 CU(CHO2)2*4H2O COPPER-OXALATE CU(CH3COO)2*2NH3 CU(CH2OHCOO)2*2NH3 CU(CH2NH2COO)2*2NH3 CU(CH3COO)2*6NH3 CU(CH2OHCOO)2*6NH3 CU(CH3COO)2 CU(CH3COO)2*H2O CU(CH2OHCOO)2 CUCL*1.5NH3 CUCL*2PH3 CUCL*3NH3 CUCL*NH3 CUCL*PH3 CUCL2*10NH3 CUCL2*2NH3 CUCL2*2H2O CUCL2*4NH3*2H2O CUCL2*5NH3 CUCL2*6NH3 CUCL2*2CH3OH CUCL2*2C2H5OH CU(CLO4)2*6H2O CUCL2*2NH4CL CUCL2*2NH4CL*2H2O CUCNS CUH CU(HCOO)2*4NH3 CU(HCOO)2*6NH3 CU(HCOO)2*2NH3 CUI*0.5NH3 CUI*2NH3 CUI*2PH3 CUI*3NH3 CUI*NH3 CUI*PH3 CU(IO3)2*H2O CU(NH2CH2COO)2*H2O CU(NH2CH2COO)2-ALPHA CU(NH2CH2COO)2-BETA CU(NO3)2 CU(NO3)2*3H2O CU(NO3)2*6H2O CUN3

Physical Property Data 11.1

Databanks 1-195

Alias
CUN4H12SO4 CUN4H15SO5.5 CUN4H18C4O4 CUN4H18C4O6 CUN6 CUN6H12O6 CUN6H20C4O4 CUO CUO*CUSO4 CUONC CURB2CL4 CURB2CL4*4W CUS2O10N2H12 CUS2O14N2H20 CUS2O6*5W CUS2O8N2H8 CUSE2 CUSEO4 CUSEO4*5W CUSO4 CUSO4*2CH3OH CUSO4*2NH3 CUSO4*5NH3 CUSO4*NH3 CUWO4 CUWO4*2H2O

Name
(CU(NH3)4)SO4 (CU(NH3)4)SO4*1.5H2O CU(NH3)4(CH3COO)2 CU(NH3)4(CH2OHCOO)2 CU(N3)2 CU(NH3)4(NO3)2 CU(NH3)4(CH2NH2COO)2 COPPER-MONOXIDE CUO*CUSO4 CUONC CUCL2*2RBCL CUCL2*2RBCL*4H2O CUSO4*(NH4)2SO4*2H2O CUSO4*(NH4)2SO4*6H2O CUS2O6*5H2O CUSO4*(NH4)2SO4 CUSE2 CUSEO4 CUSEO4*5H2O COPPER-SULFATE CUSO4*2CH3OH CUSO4*2NH3 CUSO4*5NH3 CUSO4*NH3 CUWO4 CUWO4*2H2O

SOLIDS Component Databank: Dy

Alias
DY2C6O12*10W DY2O3*CO2 DYAS DYBR3O9*9W DYC6H9O6 DYCO5 DYI3O9 DYOCL

Name
DY2(C2O4)3*10H2O DY2O3*CO2 DYAS DY(BRO3)3*9H2O DY(CH3CO2)3 DYCO5 DY(IO3)3 DYOCL

SOLIDS Component Databank: Er

Alias
ER2C6O12*6W ERBR3O9*9W ERH2 ERH3 ERI3O9 EROCL

Name
ER2(C2O4)3*6H2O ER(BRO3)3*9H2O ERH2 ERH3 ER(IO3)3 EROCL

1-196 Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Eu

Alias
EU2S3O12*8W EUBR3O9*9W EUC2 EUCL2 EUF3*H2O EUI3O9 EUN3O9*6W EUO3H3

Name
EU2(SO4)3*8H2O EU(BRO3)3*9H2O EUC2 EUCL2 EUF3*H2O EU(IO3)3 EU(NO3)3*6H2O EU(OH)3

SOLIDS Component Databank: Fe

Alias
FE FE1.042SE FE1.111TE FE2(WO4)3*8W FE2CDO4 FE2I6PB FE2MO3O12 FE2O3 FE2OC6N5 FE2P FE2ZNO4 FE3C FE3O4 FE3P FE3SE4 FE3SI FE5SI3 FE7C18N18 FE7S8 FE7SE8 FE7W6 FEAL FEAL2 FEAL3 FEASS FEBR2*2NH3 FEBR2*6NH3 FEBR2*NH3 FEBR3*6NH3 FEBRCL2 FEC2O4*2W FEC4O4BR2 FEC4O4I2 FEC6N5H5O2 FECD2C6N6*7W FECL2 FECL2*10NH3

Name
IRON FE1.042SE FE1.111TE FE2(WO4)3*8H2O CDFE2O4 (FEI2)2*PBI2 FE2(MOO4)3 HEMATITE FE2CO(CN)5 FE2P DIIRON-ZINC-TETRAOXIDE TRIIRON-CARBIDE MAGNETITE FE3P FE3SE4 FE3SI FE5SI3 FE4(FE(CN)6)3 FE7S8-SULFUR-RICH-PYRRHOTITE FE7SE8 FE7W6 FEAL FEAL2 FEAL3 FEASS FEBR2*2NH3 FEBR2*6NH3 FEBR2*NH3 FEBR3*6NH3 FEBRCL2 FEC2O4*2H2O FE(CO)4BR2 FE(CO)4I2 H3FECO(CN)5*H2O CD2FE(CN)6*7H2O FERROUS-CHLORIDE FECL2*10NH3

Physical Property Data 11.1

Databanks 1-197

Alias
FECL2*2NH3 FECL2*2W FECL2*4W FECL2*6NH3 FECL2*NH3 FECL2O8*6W FECL3 FECL3*6NH3 FECL3*6W FECO2O4 FECO3 FECR2O4 FEH4C6N6 FEI2*2NH3 FEI2*6NH3 FEN10H28C6O6 FEN3O9*9W FEO FEO2H FEP FEP2 FEPB2C6N6*3W FEPO4*2W FES FES2 FES2-2 FESB FESB2 FESE FESE2 FESIO3 FESO4*2NH3 FESO4*3NH3 FESO4*4NH3 FESO4*4W FESO4*6NH3 FESO4*7W FESO4*NH3 FESO4*W FETE FETL4C6N6*2W FEWO4*3H2O FEZN2C6N6*2W

Name
FECL2*2NH3 FECL2*2H2O FECL2*4H2O FECL2*6NH3 FECL2*NH3 FE(CLO4)2*6H2O FERRIC-CHLORIDE FECL3*6NH3 FECL3*6H2O FECO2O4 IRON-CARBONATE FECR2O4 H4FE(CN)6 FEI2*2NH3 FEI2*6NH3 (NH4)4FE(CN)6*6H2O FE(NO3)3*9H2O FERROUS-OXIDE FEO(OH) FEP FEP2 PB2FE(CN)6*3H2O FEPO4*2H2O IRON-MONOSULFIDE IRON-DISULFIDE-PYRITE IRON-DISULFIDE-MARCASITE FESB FESB2 FESE FESE2 IRON-METASILICATE FESO4*2NH3 FESO4*3NH3 FESO4*4NH3 FESO4*4H2O FESO4*6NH3 FESO4*7H2O FESO4*NH3 FESO4*H2O FETE TL4FE(CN)6*2H2O FEWO4*3H2O ZN2FE(CN)6*2H2O

1-198 Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Ga

Alias
GA2BR6*CH3BR GA2CL6*CH3CL GA2CL7C2H5 GA2S3O12 GABR3*14NH3 GABR3*5NH3 GABR3*6NH3 GABR3*7NH3 GABR3*9NH3 GABR3*CH3BR GABR3*NH3 GACH3I2 GACL3*14NH3 GACL3*3NH3 GACL3*5NH3 GACL3*6NH3 GACL3*7NH3 GACL3*CH3CL GACL3*NH3 GACL3*PCL3 GACL3*POCL3 GACL3C3H6O GACL3C4H10O GACL3C8H20O GACL4C2H3O GAF3*3LIF GAI3*13NH3 GAI3*20NH3 GAI3*5NH3 GAI3*6NH3 GAI3*7NH3 GAI3*9NH3 GAI3*NH3 GAN GAO3H3 GAPO4

Name
(GABR3)2*CH3BR (GACL3)2*CH3CL (GACL3)2*C2H5CL GALLIUM-SULFATE GABR3*14NH3 GABR3*5NH3 GABR3*6NH3 GABR3*7NH3 GABR3*9NH3 GABR3*CH3BR GABR3*NH3 GACH3I2 GACL3*14NH3 GACL3*3NH3 GACL3*5NH3 GACL3*6NH3 GACL3*7NH3 GACL3*CH3CL GACL3*NH3 GACL3*PCL3 GACL3*POCL3 GACL3*(CH3)2CO GACL3*(C2H5)2O GACL3*2(C2H5)2O GACL3*CH3COCL GAF3*3LIF GAI3*13NH3 GAI3*20NH3 GAI3*5NH3 GAI3*6NH3 GAI3*7NH3 GAI3*9NH3 GAI3*NH3 GALLIUM-NITRIDE GALLIUM-HYDROXIDE GALLIUM-PHOSPHATE

SOLIDS Component Databank: Gd

Alias
GD2C6O12*10W GD2S3O12*8W GDAL2 GDAS GDBR3O9*9W GDC2 GDCL3*6W GDF3*W GDH2

Name
GD2(C2O4)3*10H2O GD2(SO4)3*8H2O GDAL2 GDAS GD(BRO3)3*9H2O GDC2 GDCL3*6H2O GDF3*H2O GDH2

Physical Property Data 11.1

Databanks 1-199

Alias
GDI3O9 GDN3O9*6W GDPO4*W

Name
GD(IO3)3 GD(NO3)3*6H2O GDPO4*H2O

SOLIDS Component Databank: H

Alias
H2MOO4 H2MOO4*W H2O H2O(S) H2PTBR6*9W H2PTCL6*6W H2RECL4 H2S2O7 H2SEO3 H2SEO4 H2SEO4*W H2SI2O5 H2SIO3 H3BO3 H3PO2 H3PO3 H3PO4 H3PO4*0.5W H3PO4*HCLO4 H3PO4*W H4P2O7 H4P2O7*1.5W H4SIO4 H6SI2O7 H6TEO6 HAUBR4*5W HAUCL4*3W HAUCL4*4W HBO2-C HBO2-M HCLO4*W HCO2NH4 HCOOK HCOONA HCOONA*2W HCOONA*3W HIO3 HPO3 HPTCL5*2W

Name
H2MOO4-WHITE H2MOO4*H2O-YELLOW WATER ICE H2PTBR6*9H2O H2PTCL6*6H2O H2RECL4 H2S2O7 SELENIOUS-ACID SELENIC-ACID SELENIC-ACID-HYDRATE DISILICIC-ACID METASILICIC-ACID HYDROGEN-ORTHOBORATE HYPOPHOSPHOROUS-ACID PHOSPHOROUS-ACID ORTHOPHOSPHORIC-ACID H3PO4*0.5H2O H3PO4*HCLO4 ORTHOPHOSPHORIC-ACID-HYDRATE PYROPHOSPHORIC-ACID H4P2O7*1.5H2O H4SIO4 H6SI2O7 H6TEO6 HAUBR4*5H2O HAUCL4*3H2O HAUCL4*4H2O METABORIC-ACID-CUBIC METABORIC-ACID-MONOCLINIC PERCHLORIC-ACID-HYDRATE AMMONIUM-FORMATE HCOOK HCOONA HCOONA*2H2O HCOONA*3H2O IODIC-ACID METAPHOSPHORIC-ACID HPTCL5*2H2O

1-200 Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Hg

Alias

Name

HG MERCURY HG2BR2N2H4 NHG2BR*NH4BR HG2BR2O HGBR2*HGO HG2BR4N4H12 NHG2BR*3NH4BR HG2C2N2O HG(CN)2*HGO HG2C2N2S2 HG2(CNS)2 HG2C2O4 HG2C2O4 HG2C4H6O4 HG2(CH3COO)2 HG2CL2*2NH3 HG2CL2*2NH3 HG2CL2N2H4 NHG2CL*NH4CL HG2CL4N4H12 NHG2CL*3NH4CL HG2CO3 HG2CO3 HG2N2O6*2W HG2(NO3)2*2H2O HG2N6 HG2(N3)2 HG2SEO3 HG2SEO3 HG3BR2O2 HGBR2*2HGO HG3N2O8*W HG(NO3)2*2HGO*H2O HG3SO6 HGSO4*2HGO HG4BR2O3 HGBR2*3HGO HG4C6N6O (HG(CN)2)3*HGO HG4CL2N2*2W (NHG2CL)2*2H2O HG4CL2N2*W (NHG2CL)2*H2O HG4CL2N3H3 (NHG2CL)2*NH3 HG4CL2N4H6 (NHG2CL)2*2NH3 HG4N2O (HG2N)2O HG4N2O*4W (HG2N)2O*4H2O HG4N2O*W (HG2N)2O*H2O HG5BR2O4 HGBR2*4HGO HG5BR4N2 (NHG2BR)2*HGBR2 HG5CL4N2 (NHG2CL)2*HGCL2 HG5TL2 HG5TL2 HG9BR6N4 (NHG2BR)4*HGBR2 HGBR2*2NH3 HGBR2*2NH3 HGBR2*8NH3 HGBR2*8NH3 HGBR2C2N2H8 HGBR2*C2H4(NH2)2 HGC2H2CL2 HGCLCHCHCL HGC2H5BR HGC2H5BR HGC2H5CL HGC2H5CL HGC2H5I HGC2H5I HGC2N2 HG(CN)2 HGC2N3H4BR*W HG(CN)2*NH4BR*H2O HGC2O4 HGC2O4 HGC4H6O4 HG(CH3COO)2 HGCH3BR HGCH3BR HGCH3CL HGCH3CL HGCH3I HGCH3I HGCL2*2:3NH3 HGCL2*2:3NH3

Physical Property Data 11.1

Name
MGS2O3*6H2O MAGNESIUM-SELENITE MGSEO3*6H2O MGSEO4 MGSEO4*4H2O MGSEO4*6H2O MGSEO4*H2O MGSO3 MGSO3*3H2O MGSO3*6H2O MGSO4*2H2O MGSO4*4H2O MGSO4*6H2O MGSO4*7H2O MGSO4*H2O MAGNESIUM-TITANIUM-TRIOXIDE MGTL MGU3O10 MGUO4 MGV2O6 MAGNESIUM-TUNGSTATE MGY MGZN MGZN2

SOLIDS Component Databank: Mn

Alias

Name

MN MANGANESE MN2C10O10 MN2(CO)10 MN2FEC6N6 MN2FE(CN)6 MN2O11PB4 PB(MNO4)2*3PBO MN2O3-B DIMANGANESE-TRIOXIDE-BRAUNITE MN3O4-H MANGANESE-OXIDE-HAUSMANNITE MN3P2O8 MN3(PO4)2 MN8N2 MN8N2 MNBI MNBI MNBR2 MANGANESE-DIBROMIDE MNBR2*2NH3 MNBR2*2NH3 MNBR2*4W MNBR2*4H2O MNBR2*6NH3 MNBR2*6NH3 MNBR2*C2H5OH MNBR2*C2H5OH MNBR2*NH3 MNBR2*NH3 MNBR2*W MNBR2*H2O MNC2H2O4 MN(CHO2)2 MNC2H2O4*2W MN(CHO2)2*2H2O MNC2O4 MANGANESE-OXALATE MNC2O4*2W MNC2O4*2H2O MNC2O4*3W MNC2O4*3H2O

1-216 Databanks

Physical Property Data 11.1

Alias

Name

MNC4H6O4 MN(CH3CO2)2 MNC4H6O4*4W MN(CH3CO2)2*4H2O MNCL2 MANGANESE-DICHLORIDE MNCL2*2CH3OH MNCL2*2CH3OH MNCL2*2W MNCL2*2H2O MNCL2*3CH3OH MNCL2*3CH3OH MNCL2*4W MNCL2*4H2O MNCL2*CH3OH MNCL2*CH3OH MNCL2*W MNCL2*H2O MNCL4N2H12O2 MNCL2*2NH4CL*2H2O MNCO3 MANGANESE-CARBONATE MNCO3-N MNCO3-NATURAL MNCO3-P MNCO3-PRECIPITATED MNFE2O4 MNFE2O4 MNHASO4 MNHASO4 MNHPO4 MNHPO4 MNI2*2W MNI2*2H2O MNI2*4W MNI2*4H2O MNI2O6 MN(IO3)2 MNN2O6 MN(NO3)2 MNN6 MN(N3)2-MANGANESE-AZIDE MNO-M MANGENESE-OXIDE-MANGANOSITE MNO2-P MANGANESE-DIOXIDE-PYROLUSITE MNO2H2 MN(OH)2-PRECIPITATED MNS-P MNS-PRECIPITATED-PINK MNS2O14H20N2 (NH4)2MN(SO4)2*6H2O MNS2O6*2W MNS2O6*2H2O MNS2O6*6W MNS2O6*6H2O MNSO4*4W MNSO4*4H2O MNSO4*5W MNSO4*5H2O MNSO4*7W MNSO4*7H2O MNSO4*W-A MNSO4*H2O-ALPHA MNSO4*W-B MNSO4*H2O-BETA MNV2O6 MN(VO3)2

SOLIDS Component Databank: Mo

Alias
MO MO2B MO3GE MOB MOBR2 MOBR4 MOCL2 MOCL3 MOCL4 MOCL5 MOO2BR2

Name
MOLYBDENUM MO2B MO3GE MOB MOBR2 MOBR4 MOCL2 MOCL3 MOCL4 MOCL5 MOO2BR2

Physical Property Data 11.1

Databanks 1-217

Alias
MOO2CL2*W MOOCL4

Name
MOO2CL2*H2O MOOCL4

SOLIDS Component Databank: N

Alias
N2H6*B2H6 N2H6U3O9*4W N2H7PTCL3 N2H8CD2S3O12 N2H8CR2O7 N2H8CR3O10 N2H8CRO4 N2H8PTCL4 N3H12UO2F5 NH28ALS2O20 NH28CRS2O20 NH2COONA NH2COONH4 NH3*B3H7 NH3*BF3 NH3U2O6*3W NH3U3O9*5W NH4ALS2O8 NH4B5O8*4W NH4BO3*0.5W NH4BR NH4BR*1.5NH3 NH4BR3 NH4CL NH4CN NH4CNS*SO2 NH4F NH4H2ASO4 NH4H2PO2 NH4H2PO4 NH4HCO3 NH4HF2 NH4HS NH4HSE NH4HSO3 NH4HSO4 NH4HTE NH4I*2NH3 NH4I*3SO2 NH4I*NH3 NH4I3 NH4IBR2

Databanks 1-221

Alias
NA2SO4*SRSO4 NA2SO4.10H2O NA2SO4.NAOH NA2TAF7 NA2TE2 NA2TEO3 NA2TEO3*5W NA2THCL6 NA2U2O7 NA2U2O7*1.5W NA2UCL6 NA2UO4-A NA2UO4-B NA2V3F11 NA2W2O7 NA2W4O13 NA2WF8 NA2WO4*2W NA2WO6*W NA2WO8*2W NA2ZN(SO4)2 NA2ZNO2 NA2ZNS2O8*2W NA2ZNS2O8*4W NA2ZRCL6 NA3ALF6 NA3ALF6*3.5W NA3ASO4*12W NA3BI NA3BIO4 NA3CON6O12 NA3CRCL6 NA3FECO(CN)5 NA3HG NA3HG2 NA3HP2O7 NA3HP2O7*6W NA3HP2O7*W NA3IRCL6 NA3P NA3PW3O13*4W NA3RHCL6 NA3RHCL6*12W NA3SB NA3SCF6 NA3TICL6 NA3UO2F5

Name
NA2SO4*SRSO4 GLAUBER DOUBLE NA2TAF7 NA2TE2 NA2TEO3 NA2TEO3*5H2O NA2THCL6 NA2U2O7 NA2U2O7*1.5H2O NA2UCL6 NA2UO4-ALHPA NA2UO4-BETA NA2V3F11 NA2W2O7 NA2W4O13 NA2WF8 NA2WO4*2H2O NA2WO6*H2O NA2WO8*2H2O NA2ZN(SO4)2 NA2ZNO2 NA2ZN(SO4)2*2H2O NA2ZN(SO4)2*4H2O NA2ZRCL6 CRYOLITE NA3ALF6*3.5H2O NA3ASO4*12H2O NA3BI NA3BIO4 NA3(CO(NO2)6) NA3CRCL6 NA3FECO(CN)5 NA3HG NA3HG2 NA3HP2O7 NA3HP2O7*6H2O NA3HP2O7*H2O NA3IRCL6 NA3P NA3PW3O13*4H2O NA3RHCL6 NA3RHCL6*12H2O NA3SB NA3SCF6 NA3TICL6 NA3UO2F5

1-222 Databanks

Physical Property Data 11.1

Alias
NA3UO4 NA3VCL6 NA3VF6 NA3VO4*.5W-O NA3VO4*.5W-P NA3VO4*10W-O NA3VO4*10W-P NA3VO4*12W NA3VO4*2W NA3VO4*3.5W NA3VO4*7W NA3VO4*8W NA4BA(SO4)3 NA4CA(SO4)3 NA4CEO4 NA4K2(CO3)3 NA4K2(SO4)3 NA4O4UO4 NA4O4UO4*9W NA4P2O7 NA4P2O7*10W NA4P4O12 NA4SN NA4SO4CLOH NA4SR(SO4)3 NA4UO2(CO3)3 NA4UO5 NA4V2O7*10W NA4V2O7*12W NA4V2O7*18W NA4V2O7*2W NA5H3(CO3)4 NA5HG2 NA5P3O10*6W NA5P3O10-1 NA5P3O10-2 NA5PB2 NA5V3F14 NA6K2(CO3)4 NA6U7O24 NA6ZR2SI4O15 NA7HG8 NA8K2(CO3)5 NAALH4 NAALS2O8*12W NAALS2O8*2W NAALS2O8*5W

Name
NA3UO4 NA3VCL6 NA3VF6 NA3VO4*0.5H2O-ORTHO NA3VO4*0.5H2O-PSEUDOSALT NA3VO4*10H2O-ORTHO NA3VO4*10H2O-PSEUDOSALT NA3VO4*12H2O-ORTHO NA3VO4*2H2O-ORTHO NA3VO4*3.5H2O-PSEUDOSALT NA3VO4*7H2O-ORTHO NA3VO4*8H2O-PSEUDOSALT 2NA2SO4*BASO4 NA4CA(SO4)3 NA4CEO4 2NA2CO3*K2CO3-AGED 2NA2SO4*K2SO4-AGED NA4O4UO4 NA4O4UO4*9H2O TETRASODIUM-PYROPHOSPHATE NA4P2O7*10H2O NA4P4O12 NA4SN TRIPLE 2NA2SO4*SRSO4 NA4UO2(CO3)3 NA4UO5 NA4V2O7*10H2O NA4V2O7*12H2O NA4V2O7*18H2O NA4V2O7*2H2O 3NAHCO3*NA2CO3 NA5HG2 NA5P3O10*6H2O NA5P3O10-FORM-1-QUENCHED NA5P3O10-FORM-2 NA5PB2 NA5V3F14 3NA2CO3*K2CO3-AGED NA6U7O24 NA6ZR2SI4O15 NA7HG8 4NA2CO3*K2CO3-AGED NAALH4 NAAL(SO4)2*12H2O NAAL(SO4)2*2H2O NAAL(SO4)2*5H2O

Physical Property Data 11.1

Databanks 1-223

Alias
NAALS2O8*6W NAAS NAAS2 NAASO2 NAB(OCH3)4 NAB5O8*5W NABF4 NABH4 NABH4*2W NABH4*3NH3 NABH4*4.5NH3 NABO2*2W NABO2*4W NABO3*4W NABR*2W NABR*5.25NH3 NABR*5.75NH3 NABRF4 NABRO3 NAC2H5O2 NAC3H9O3 NAC4H11O3 NAC4H11O4 NAC4H7O6 NAC6H17O3 NACH3CO2 NACH3CO2*3W NACL NACL*5NH3 NACLO2 NACLO2*3W NACLO3 NACLO4*W 2NACL*BACL2 2NACL*MGCL2 2NACL*SRCL2 NACN*0.5W NACN*2W NACN-c NACN-o NACNO NACNS NACNS*2SO2 NACOO8N4C2H6 NACRO2 NACS2CRCL6 NAF

Databanks 1-227

Alias
NIBR2N2H6 NIBR2NH3 NIC2N2 NIC2N2O2 NIC2N2S2 NIC2O4 NIC4H6O4N4 NICL2 NICL2*2W NICL2*4W NICL2*6W NICL2N2H6 NICL2NH3 NICL2O8*6W NIF2*4W NIFE2O4 NIH2C2O4 NII2N2H6 NII2O6 NIN2H8C4O4 NIN2O6 NIN2O6*3W NIN2O6*6W NIN6*W NIN6H12SO4 NIN6H18BR2 NIN6H18CL2 NIN6H18I2 NIN6H24C6CL2 NIN8H18O6 NIO-B NIO2H2 NIO8H8B2 NIS-P NIS2O6*6W NISE NISEO3*2W NISEO3*2W-P NISO4*4W NISO4*6W NISO4*7W NITE NITE2

Name
NIBR2*2NH3 NIBR2*NH3 NI(CN)2-PRECIPITATED NI(CNO)2 NI(CNS)2 NICKEL-OXALATE NI(C2H3O2N2)2 NICKEL-CHLORIDE NICL2*2H2O NICL2*4H2O NICL2*6H2O NICL2*2NH3 NICL2*NH3 NI(CLO4)2*6H2O NIF2*4H2O NIFE2O4 NI(HCO2)2 NII2*2NH3 NI(IO3)2 NI(NH2CH2COO)2 NI(NO3)2 NI(NO3)2*3H2O NI(NO3)2*6H2O NI(N3)2*H2O NI(N2H4)3SO4 NI(NH3)6BR2 NI(NH3)6CL2 NI(NH3)6I2 NI(N2H8C2)3CL2 NI(NH3)6(NO3)2 NICKEL-OXIDE-BUNSENITE NI(OH)2 NI(OH)2*2H3BO3 NIS-PRECIPITATED NIS2O6*6H2O NISE NISEO3*2H2O NISEO3*2H2O-PRECIPITATED NISO4*4H2O NISO4*6H2O-ALPHA,GREEN NISO4*7H2O NITE NITE2

1-228 Databanks

Physical Property Data 11.1

SOLIDS Component Databank: P

Alias
P-W P2H6*B2H6 P2O5 P2S3 P3N5 P4O10 PH3*BCL3 PH4BR PH4CL PH4I POCL3*BCL3

Name
PHOSPHORUS-WHITE (PH3)2*B2H6 DIPHOSPHORUS-PENTAOXIDE P2S3 P3N5 TETRAPHOSPHORUS-DECAOXIDE PH3*BCL3 PH4BR PH4CL PH4I POCL3*BCL3

SOLIDS Component Databank: Pa

Alias
PABR4 PABR5 PACL4 PACL5 PAI4 PAOBR2

Name
PABR4 PABR5 PACL4 PACL5 PAI4 PAOBR2

SOLIDS Component Databank: Pb

Alias
PB PB(N3)2-M PB(N3)2-O PB(NO3)2 PB(OH)2 PB(OH)2-P PB2CL4*NH4CL PB2N6O PB2O2*PBCL2 PB2SIO4 PB2V2O7 PB3AM4I10*6W PB3ASI9*12W PB3C2N2O3H2 PB3I6*4NH4I PB3I6*ASI3 PB3I6*PI3 PB3I6*SBI3 PB3I9P*12W PB3O2BR2 PB3O3*PBCL2 PB3P2O8 PB3SBI9*12W PB3V2O8 PB4O3BR2 PB4O6H6CL2

Name
LEAD PB(N3)2-MONOCLINIC PB(N3)2-ORTHORHOMBIC PB(NO3)2 PB(OH)2 PB(OH)2-PPTD (PBCL2)2*NH4CL PB(N3)2*PBO (PBO)2*PBCL2 DILEAD-ORTHOSILICATE PB2V2O7 (PBI2)3*4NH4I*6H2O (PBI2)3*ASI3*12H2O PB(CN)2*2PBO*H2O (PBI2)3*4NH4I (PBI2)3*ASI3 (PBI2)3*PI3 (PBI2)3*SBI3 (PBI2)3*PI3*12H2O (PBO)2*PBBR2 (PBO)3*PBCL2 PB3(PO4)2 (PBI2)3*SBI3*12H2O PB3(VO4)2 (PBO)3*PBBR2 (PB(OH)2)3*PBCL2

Physical Property Data 11.1

Databanks 1-229

Alias
PBBR2*2NH3 PBBR2*3NH3 PBBR2*5.5NH3 PBBR2*8NH3 PBBR2*NH3 PBBR2O6 PBBRF PBC2H2O4 PBC2O4 PBC4H6O4 PBC4H6O4*3W PBCL2 PBCL2*1.5NH3 PBCL2*2NH3 PBCL2*3.25NH PBCL2*8NH3 PBCL2*NH3 PBCL2*PBCO3 PBCLOH PBFCL PBH2PO4 PBHPO3 PBI2*0.5NH3 PBI2*2MGI2 PBI2*2NH3 PBI2*2RBI PBI2*2RBI*4W PBI2*2ZNI2 PBI2*5NH3 PBI2*8NH3 PBI2*HI*5W PBI2*NH3 PBI2*SNI2 PBI2*SNI2*8W PBI2O6 PBI8CR2 PBI8CR2H6O3 PBN2O6*3NH3 PBN2O6*6NH3 PBN2O6*NH3 PBNA4S6O9 PBO*PBBR2 PBO*PBCL2 PBO*PBCO3 PBR5 PBRE2O8*2W PBS

Name
PBBR2*2NH3 PBBR2*3NH3 PBBR2*5.5NH3 PBBR2*8NH3 PBBR2*NH3 PB(BRO3)2 PBBRF PB(HCO2)2 PBC2O4 PB(CH3CO2)2 PB(CH3CO2)2*3H2O LEAD-DICHLORIDE PBCL2*1.5NH3 PBCL2*2NH3 PBCL2*3.25NH3 PBCL2*8NH3 PBCL2*NH3 PBCL2*PBCO3 PBCLOH PBFCL RBH2PO4 PBHPO3 PBI2*0.5NH3 PBI2*2MGI2 PBI2*2NH3 PBI2*2RBI PBI2*2RBI*4H2O PBI2*2ZNI2 PBI2*5NH3 PBI2*8NH3 PBI2*HI*5H2O PBI2*NH3 PBI2*SNI2 PBI2*SNI2*8H2O PB(IO3)2 PBI2*2CRI3 PBI2*2CRI3*3H2O PB(NO3)2*3NH3 PB(NO3)2*6NH3 PB(NO3)2*NH3 PBS2O3*2NA2S2O3 PBO*PBBR2 PBO*PBCL2 DILEAD-OXIDE-CARBONATE PHOSPHORUS-PENTABROMIDE PB(REO4)2*2H2O LEAD-SULFIDE

1-230 Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias
RBREO4 RBSB RBSB2 RBSO2F RBTACL6 RBTICL3 RBUCL5 RBUCL6 RBUF6 RBWF6

Name
RBREO4 RBSB RBSB2 RBSO2F RBTACL6 RBTICL3 RBUCL5 RBUCL6 RBUF6 RBWF6

SOLIDS Component Databank: Sb

Alias
SB(OH)3 SB4O5CL2 SBCL3*3RBCL SBF3*2NH3 SBF3*3NH3 SBF3*4NH3 SBF3*6NH3 SBF3*NH3 SBOCL

Name
ANTIMONY-TRIHYDROXIDE SB4O5CL2 SBCL3*3RBCL SBF3*2NH3 SBF3*3NH3 SBF3*4NH3 SBF3*6NH3 SBF3*NH3 ANTIMONY-CHLORIDE-OXIDE

SOLIDS Component Databank: Sc

Alias
SC2C6O12 SC2O5H5CL SC2S3O12 SC2SE3O9*10W SCAS SCCL3*6W SCH1.97 SCH2 SCH3C3O6 SCO2H2CL SCO3H3

Name
SC2(C2O4)3 SC2(OH)5CL SC2(SO4)3 SC2(SEO3)3*10H2O SCAS SCCL3*6H2O SCH1.97 SCH2 SC(HCO2)3 SC(OH)2CL SC(OH)3

SOLIDS Component Databank: Si

Alias
SI SIC-A SIC-B SIF4*2NC3H9 SIF4*2NH3 SIF4*NC3H9 SIO2 SISE2

Name
SILICON SILICON-CARBIDE-HEXAGONAL-ALPHA SILICON-CARBIDE-CUBIC-BETA SIF4*2N(CH3)3 SIF4*2NH3 SIF4*N(CH3)3 SILICON-DIOXIDE SILICON-DISELENIDE

SOLIDS Component Databank: Sm

Alias

Name

SM2C3O9 SM2(CO3)3 SM2C6O1210W SM2(C2O4)310H2O

Physical Property Data 11.1

Databanks 1-235

Alias
SM2S3O12 SM2S3O12*8W SM2S3O9 SM2SE3O12*8W SMAS SMBR3O9*9W SMC2 SMCL3*6W SMF3 SMF3*W SMI3 SMI3O9 SMN3O9 SMN3O9*6W SMOCL

Name
SM2(SO4)3 SM2(SO4)3*8H2O SM2(SO3)3 SM2(SEO4)3*8H2O SMAS SM(BRO3)3*9H2O SAMARIUM-DICARBIDE SMCL3*6H2O SMF3 SMF3*H2O SMI3 SM(IO3)3 SM(NO3)3 SM(NO3)3*6H2O SMOCL

SOLIDS Component Databank: Sn

Alias
SN(OH)2-P SN(OH)4-P SNBR2 SNBR2*2NH3 SNBR2*3NH3 SNBR2*5NH3 SNBR2*9NH3 SNBR2*NH3 SNBR4*8W SNC2H6CL2 SNCL2*2.5NH3 SNCL2*2W SNCL2*4NH3 SNCL2*9NH3 SNCL4*1.5PH3 SNI2*2NH3 SNI2*3NH3 SNI2*5NH3 SNI2*9NH3 SNI2*NH3 SNOHCL*W

Name
SN(OH)2-PPTD SN(OH)4-PPTD TIN-DIBROMIDE SNBR2*2NH3 SNBR2*3NH3 SNBR2*5NH3 SNBR2*9NH3 SNBR2*NH3 SNBR4*8H2O SN(CH3)2CL2 SNCL2*2.5NH3 SNCL2*2H2O SNCL2*4NH3 SNCL2*9NH3 SNCL4*1.5PH3 SNI2*2NH3 SNI2*3NH3 SNI2*5NH3 SNI2*9NH3 SNI2*NH3 SNOHCL*H2O

SOLIDS Component Databank: Sr

Alias
SR2AL2SIO7 SR2BI SR2GE SR2O2*FE2O3 SR2PB SR2SB SR2SIO4

Name
(SRO)2*AL2O3*SIO2 SR2BI SR2GE (SRO)2*FE2O3 SR2PB SR2SB STRONTIUM-ORTHOSILICATE

1-236 Databanks

Physical Property Data 11.1

Alias
SR2SN SR2U3O11 SR2UO5 SR3AL4CL18 SR3AS2 SR3BI2 SR3O3*AL2O3 SR3O3*FE2O3 SR3P2 SR3P2O8 SR3SB2 SR3UO6 SR4AL2O7-A SR4AL2O7-B SR7FE10O22 SRB2F8 SRBI SRBR2 SRBR2*2NH3 SRBR2*6W SRBR2*8NH3 SRBR2*NH3 SRBR2*SRO*3W SRBR2*SRO*9W SRBR2*W SRBR2CO0.5H3 SRBR2O6*W SRBRH SRC2N2*4W SRC2O4 SRC4H6O4 SRC4H6O4.5H SRC4H6O6 SRCL2*2W SRCL2*6W SRCL2*SRO*9W SRCL2*W SRCL2-A SRCL2N8H24 SRCL2NH3 SRCL2O8 SRCL2O8*2W SRCL2O8*4W SRCL2O8N2H6 SRCL2O8N6H18 SRCL2O8N7H21 SRCLH

Name
SR2SN SR2U3O11 SR2UO5 (SRCL2)3*4ALCL3 SR3AS2 SR3BI2 (SRO)3*AL2O3 (SRO)3*FE2O3 SR3P2 SR3(PO4)2 SR3SB2 SR3UO6 (SRO)4*AL2O3-ALPHA (SRO)4*AL2O3-BETA (SRO)7*5FE2O3 SR(BF4)2 SRBI STRONTIUM-BROMIDE SRBR2*2NH3 SRBR2*6H2O SRBR2*8NH3 SRBR2*NH3 SRBR2*SRO*3H2O SRBR2*SRO*9H2O SRBR2*H2O SRBR2*0.5C2H5OH SR(BRO3)2*H2O SRBRH SR(CN)2*4H2O SRC2O4 SR(CH3CO2)2 SR(CH3CO2)2*0.5H2O SR(CH2OHCO2)2 SRCL2*2H2O SRCL2*6H2O SRCL2*SRO*9H2O SRCL2*H2O SRCL2-ALPHA SRCL2*8NH3 SRCL2*NH3 SR(CLO4)2 SR(CLO4)2*2H2O SR(CLO4)2*4H2O SR(CLO4)2*2NH3 SR(CLO4)2*6NH3 SR(CLO4)2*7NH3 SRCLH

Physical Property Data 11.1

Databanks 1-237

Alias
SRCN2 SRCO3 SRF2 SRFCL SRH2C2O4 SRH2C2O4*2W SRH4P2O8 SRHFO3 SRHPO4 SRI2*2NH3 SRI2*2PBI2 SRI2*2W SRI2*6NH3 SRI2*6W SRI2*8NH3 SRI2*NH3 SRI2*W SRI2O6 SRI2O6*6W SRI2O6*W SRI6PB2*7W SRIH SRMG2-B SRMOO3 SRN2H4 SRN2H8S2O8 SRN2O2*5W SRN2O4 SRN2O4*W SRN2O6 SRN2O6*4W SRN6 SRN6H18 SRO*AL2O3 SRO2H2*8W SRO2H2*W SRS SRS2I2O4 SRS2O6*4W SRS4I2O8 SRSB SRSE SRSEO3 SRSEO4 SRSO3 SRUO4-A SRUO4-B

Alias
TL2SE3O9 TL2SEO4 TL2SO4 TL2TE TL2TICL6 TL4V2O7 TLBR*3NH3 TLBR3*4W TLBRO3 TLCH3CO2 TLCL*3NH3 TLCL2BR*4W TLCL3*3NH3 TLCL3*4W TLCLBR2*4W TLHF2 TLI*3NH3 TLIO3 TLN3 TLNO3 TLO3H3 TLOCH3 TLOH TLONC TLSCN TLVO3

Name
TL2(SEO3)3 TL2SEO4 THALLIUM-SULFATE THALLIUM-TELLURIDE TL2TICL6 TL4V2O7 TLBR*3NH3 TLBR3*4H2O TLBRO3 TLCH3CO2 TLCL*3NH3 TLCL2BR*4H2O TLCL3*3NH3 TLCL3*4H2O TLCLBR2*4H2O TLHF2 TLI*3NH3 TLIO3 TLN3 THALLIUM-NITRATE TL(OH)3 TLOCH3 THALLIUM-HYDROXIDE THALLOUS-FULMINATE TLCNS TLVO3

SOLIDS Component Databank: U

Alias
U(OH)2SO4 U2O4CL3 U3AS4 U3BI4 U3O7-A U3O7-B U3O8-A U3P4 U3SB4 U3SI U3SI2 U4O9 UAL2 UAL3 UAL4 UAS UAS2 UB1.98 UBI

Name
U(OH)2SO4 (UO2)2CL3 U3AS4 U3BI4 U3O7-ALPHA,TETRAGONAL U3O7-BETA,TETRAGONAL U3O8-ALPHA,ORTHORHOMBIC U3P4 U3SB4 U3SI U3SI2 TETRAURANIUM-NONAOXIDE UAL2 UAL3 UAL4 UAS UAS2 UB1.98 UBI

Physical Property Data 11.1

Databanks 1-241

Alias
UBI2 UCL2BR UCL2BR2 UCL3BR UCLBR2 UCLBR3 UF2CL2 UF3CL UF4*2.5W-O UF4-M UFCL3 UFE2 UGA UGA2 UGA3 UIN3 UN0.997 UN1.466-B UN1.5 UN1.51-A UN1.59-A UN1.606-A UN1.674-A UN1.73-A UO2.86*0.5W UO2.86*1.5W UO2BR2*3W UO2BR2*W UO2C2O4 UO2C2O4*3W UO2C2O4*W UO2CL2*3W UO2CL2*W UO2CO3 UO2F2*3W UO2H2C2O4 UO2H2C2O4*W UO2KASO UO2KPO4 UO2OHCL*2W UO2OHF*2W UO2OHF*W UO2SEO3 UO2SEO4-A UO2SO3 UO2SO3*4.5W UO2SO4*2.5W

Name
UBI2 UCL2BR UCL2BR2 UCL3BR UCLBR2 UCLBR3 UF2CL2 UF3CL UF4*2.5H2O-ORTHORHOMBIC UF4-MONOCLINIC UFCL3 UFE2 UGA UGA2 UGA3 UIN3 UN0.997 UN1.466-BETA,SESQUINITRIDE UN1.5 UN1.51-ALPHA,SESQUINITRIDE UN1.59-ALPHA,SESQUINITRIDE UN1.606-ALPHA,SESQUINITRIDE UN1.674-ALPHA,SESQUINITRIDE UN1.73-ALPHA,SESQUINITRIDE UO2.86*0.5H2O UO2.86*1.5H2O UO2BR2*3H2O UO2BR2*H2O UO2C2O4 UO2C2O4*3H2O UO2C2O4*H2O UO2CL2*3H2O UO2CL2*H2O UO2CO3 UO2F2*3H2O UO2(HCO2)2 UO2(HCO2)2*H2O UO2KASO4 UO2KPO4 UO2(OH)CL*2H2O UO2(OH)F*2H2O UO2(OH)F*H2O UO2SEO3 UO2SEO4-ALPHA UO2SO3 UO2SO3*4.5H2O UO2SO4*2.5H2O

1-242 Databanks

Alias
YB2C6O12*5W YB2OC YBBR3O9*9W YBC2 YBCL3*6W YBH2 YBI3O9 YBOCL

Name
YB2(C2O4)3*5H2O YB2OC YB(BRO3)3*9H2O YBC2 YBCL3*6H2O YBH2 YB(IO3)3 YBOCL

SOLIDS Component Databank: Zn

Alias
ZN ZN(OH)2 ZN(OH)2-B ZN(OH)2-E ZN2O3H3CL ZN2P2O7 ZN3AS2O8 ZN4C6N6O ZN4CL2O3*5W ZN5BR2O4*13W ZN5CL2O4*11W ZN5N2O14H8 ZN6CL2O5*8W ZN6I2O5*11W ZN9CL2O8*10W ZNAL2O4 ZNAS2 ZNB2O4 ZNBR2*2N2H4 ZNBR2*2NH3 ZNBR2*2W ZNBR2*4NH3 ZNBR2*6NH3 ZNBR2*6NH3*W ZNBR2*NH3 ZNC2H2O4 ZNC2H6O6 ZNC2N2 ZNC2O4*2W ZNC4H10O6 ZNC4H12O4N2 ZNC4H12O6N2 ZNC4H18O4N4 ZNC4H18O6N4

Name
ZINC ZINC-HYDROXIDE ZINC-HYDROXIDE-BETA ZINC-HYDROXIDE-EPSILON ZN2(OH)3CL ZN2(P2O7) ZINC-ARSENATE (ZN(CN)2)3*ZNO ZNCL2*3ZNO*5H2O ZNBR2*4ZNO*13H2O ZNCL2*4ZNO*11H2O ZN(NO3)2*4ZN(OH)2 ZNCL2*5ZNO*8H2O ZNI2*5ZNO*11H2O ZNCL2*8ZNO*10H2O ZNAL2O4 ZNAS2 ZN(BO2)2 ZNBR2*2N2H4 ZNBR2*2NH3 ZNBR2*2H2O ZNBR2*4NH3 ZNBR2*6NH3 ZNBR2*6NH3*H2O ZNBR2*NH3 ZINC-FORMATE ZINC-FORMATE-DIHYDRATE ZINC-CYANIDE ZINC-OXALATE-DIHYDRATE ZINC-ACETATE-DIHYDRATE ZN(CH3CO2)2*2NH3 ZN(CH2OHCOO)2*2NH3 ZN(CH3CO2)2*4NH3 ZN(CH2OHCOO)2*4NH3

Physical Property Data 11.1

Databanks 1-245

Alias
ZNC4H24O4N6 ZNC4H24O6N6 ZNC4H30O4N8 ZNC4H6O4 ZNC4H6O6 ZNC4H8O5 ZNC4H8O7 ZNC4H9O4N ZNCL2*2N2H4 ZNCL2*2NH3 ZNCL2*4NH3 ZNCL2*5NH3*W ZNCL2*6NH3 ZNCL2*NH3 ZNCL2AM4W0.5 ZNCL2O8*6W ZNCO3*W ZNI2*2N2H4 ZNI2*2NH3 ZNI2*4NH3 ZNI2*6NH3 ZNI2*NH3 ZNI2O6 ZNN2H4 ZNN2H6CS3 ZNN2O6 ZNN2O6*2W ZNN2O6*4W ZNN2O6*6W ZNN2O6*W ZNN6 ZNO ZNO*2ZNSO4 ZNO2H2-G ZNO2H2-P ZNP2O6 ZNS-1 ZNS-2 ZNS2O6*6W ZNSB ZNSEO3*W ZNSEO4 ZNSEO4*6W ZNSEO4*W ZNSO4 ZNSO4*ZNO2H2 ZNTIO3

Name
ZN(CH3CO2)2*6NH3 ZN(CH2OHCOO)2*6NH3 ZN(CH3CO2)2*8NH3 ZINC-ACETATE ZINC-GLYCOLATE ZINC-ACETATE-HYDRATE ZINC-GLYCOLATE-HYDRATE ZN(CH3CO2)2*NH3 ZNCL2*2N2H4 ZNCL2*2NH3 ZNCL2*4NH3 ZNCL2*5NH3*H2O ZNCL2*6NH3 ZNCL2*NH3 ZNCL2*4NH3*0.5H2O ZN(CLO4)2*6H2O ZINC-CARBONATE-HYDRATE ZNI2*2N2H4 ZNI2*2NH3 ZNI2*4NH3 ZNI2*6NH3 ZNI2*NH3 ZINC-IODATE ZINC-AMIDE ZN(NH3)2CS3 ZINC-NITRATE ZINC-NITRATE-DIHYDRATE ZINC-NITRATE-TETRAHYDRATE ZINC-NITRATE-HEXAHYDRATE ZINC-NITRATE-HYDRATE ZINC-AZIDE ZINC-OXIDE ZNO*2ZNSO4 ZN(OH)2-GAMMA ZN(OH)2-PPTD ZN(PO3)2 ZINC-SULFIDE(SPHALENITE) ZINC-SULFIDE(WURTZITE) ZINC-SULFATE-HEXAHYDRATE ZNSB ZNSEO3*H2O ZINC-SELENATE ZINC-SELENATE-HEXAHYDRATE ZINC-SELENATE-HYDRATE ZINC-SULFATE ZNSO4*ZN(OH)2 ZNTIO3

1-246 Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Zr

Alias
ZR2SI ZR3SI ZR3SI2 ZR5SI3 ZR6SI5 ZRBR4*2CH3CN ZRCL4*2CH3CN ZRF4*2NH4F ZRF4*3NH4F ZRF4*3W ZRF4*NH4F ZRF4*NH4F*W ZRF4*W ZRH2 ZRO2 ZROBR2*3.5W ZROBR2*8W ZROCL2*2W ZROCL2*3.5W ZROCL2*6W ZROCL2*8W ZRS2O8 ZRS2O8*4W ZRS2O8*W ZRSI ZRSI2

Name
ZR2SI ZR3SI ZR3SI2 ZR5SI3 ZR6SI5 ZRBR4*2CH3CN ZRCL4*2CH3CN ZRF4*2NH4F ZRF4*3NH4F ZRF4*3H2O ZRF4*NH4F ZRF4*NH4F*H2O ZRF4*H2O ZRH2 ZIRCONIUM-DIOXIDE ZROBR2*3.5H2O ZROBR2*8H2O ZROCL2*2H2O ZROCL2*3.5H2O ZROCL2*6H2O ZROCL2*8H2O ZR(SO4)2 ZR(SO4)2*4H2O ZR(SO4)2*H2O ZRSI ZRSI2

SOLIDS Component Databank: Other Elements

Alias
ANALCITE AS (AS2O5)3*5W AS2O3*SO3 CHRYSOTILE GE3N4 GEI2 HFB I2 I2O5*HIO3 ICL-A ICL3 IRCL IRCL3C12H30S NESQUEHONITE OSCL3 OSCL4 PO(OH)4 POS

Name
NAALSI2O6*H2O ARSENIC (AS2O5)3*5H2O AS2O3*SO3 MG3SI2O5(OH)4 GERMANIUM-TETRANITRIDE GERMANIUM-DIIODIDE HFB IODINE I2O5*HIO3 ICL-ALPHA ICL3 IRCL IRCL3*3(C2H5)2S MGCO3*3H2O OSCL3 OSCL4 PO(OH)4 POLONIUM-SULFIDE

Physical Property Data 11.1

Databanks 1-247

Alias
PYROPHYLLITE RE3SI REAS2 RECL5 RHCL3C12H30S RUBR3 RUCL3C12H30S RUI3 SE(OH)3CLO4 SEO2SO3 S TA2H TA5SI3 TASI2 (TEO2)2SO3 TMC2 TMI3O9 TMOCL

Name
AL2SI4O10(OH)2 RE3SI REAS2 RECL5 RHCL3*3(C2H5)2S RUBR3 RUCL3*3(C2H5)2S RUI3 SE(OH)3CLO4 SEO2SO3 SULFUR TA2H TA5SI3 TASI2 (TEO2)2SO3 TMC2 TM(IO3)3 TMOCL

1-248 Databanks

Physical Property Data 11.1

CHAPTER 2

Electrolytes Data

Overview
The Aspen Physical Property System provides extensive built-in parameters for the electrolyte NRTL model. These parameters were developed using data for over 30 industrially important electrolytic systems. This help describes each system including the: Solution chemistry Range of applications Sources of literature used The solution chemistry includes: Equilibrium reaction indicated by a two way arrow () Complete dissociation reaction indicated by an arrow () Salt precipitation reaction indicated by a two way arrow (). A salt component is indicated by (s) in the formula. The solution chemistry used for all the systems is internally consistent. The hydronium ion (H 3 O ) is used for all systems. A single set of model parameters is used to describe the interactions between a given pair of components that may appear in several systems. For some systems, such as caustic systems, it is not possible to describe the data accurately over the entire range of concentration. In that case, a separate set of parameters and components has been developed and are available in the form of an insert file.
+

Physical Property Data 11.1

Electrolytes Data 2-1

Table 2.1 System

Electrolytes Data Available in the Aspen Physical Property

System

Apparent Components

2-Amino-2-Methyl-1-Propa nol with acid gas Ammonia and carbon dioxide Ammonia and hydrogen cyanide Ammonia and hydrogen sulfide Ammonia and phosphoric acid Ammonia and sulfur dioxide Ammonia and water Brine solution with sour gases Caustic solutions Chlorine

AMP, 2

H S, CO , H O 2 2

NH , CO , H O 3 2 2 NH , HCN, H O 3 2 NH , H S, H O 3 2 2
NH , H S, H PO , H O 3 2 3 4 2 NH , SO , H O 3 2 2

NH , H O 3 2
NaCl, CO , H S, H O 2 2 2

NaCl, Na SO , NaOH, H O 2 4 2
Cl , H O 2 2

Chlorine, hydrogen chloride Cl 2 , HCI, CO 2 , NaOH, H 2 O and sodium hydroxide Diethanolamine with acid DEA, H 2 S, CO 2 , H 2 O gases Diglycolamine with acid DGA, H S, CO , H O 2 2 2 gases Flue-gas and water H O, SO , SO , CO , CO, NO , NO, N , O ,
2 2 3 2 2 2 2 HCl, HF, HNO , HNO , H SO , H SeO , HgCl , 3 2 2 4 2 3 2 Hg Cl , Hg, C, Se, SeO , Hg(OH) , CaSO * 2H O, 2 2 2 2 4 2 CaF , CaO, Ca(OH) 2 2

Hot carbonate 2 absorption Hot carbonate with diethanolamine Hydrogen bromide Hydrogen chloride Hydrogen chloride and magnesium chloride Hydrogen flouride

K CO , CO , H O 2 3 2 2 K CO , CO , DEA, H O 2 3 2 2 HBr, H O 2 HCI, H O 2

HCI, M Cl , H O g 2 2
HF, H O 2

2-2 Electrolytes Data

Physical Property Data 11.1

System

Apparent Components
HI, H O 2

Hydrogen iodide

Methyldiethanolamine with MDEA, H 2 S, CO 2 , H 2 O acid gases Monoethanolamine with MEA, H S, CO , H O 2 2 2 acid gases Nitric acid HNO , H O 3 2 Potassium hydroxide Sodium hydroxide Sodium hydroxide and sulfur dioxide Sour water Sour water and caustic Sulfuric acid
KOH, H O 2 NaOH, H O 2 NaOH, SO , H O 2 2 NH , CO , H S, H O 3 2 2 2 NH , CO , H S, NaOH, H O 3 2 2 2 H SO , H O 2 4 2

Sulfuric acid and hydrogen H 2 SO 4 , HB r , H 2 O bromide Sulfuric acid and hydrogen H 2 SO 4 , HCI, H 2 O chloride

2-Amino-2-Methyl-1-Propanol with Acid Gases

The components included in this system are: H 2O, CO 2 , 2-Amino-2-Methyl-1-Propanol (AMP), and water. Henrys law is used for H 2 S and CO 2 . AMP is a hindered amine. Application: H 2 S, and CO 2 , absorption/stripping with AMP solutions.
Solution Chemistry

The aqueous phase reactions considered for this system are:

2 H2 O
H 2 S + H 2O

H3O++ OH H3O++ HS H3O++ S -2

H3O++ HCO3 H3O++ CO3
-2 -

HS - + H2O
CO2 + 2H2O

HCO3- + H2O AMP+ + H2O

H3O++ AMP

Physical Property Data 11.1

Electrolytes Data 2-3

Range of Applicability

Temperatures:
Data Sources

40 100C

AMP Concentration: up to 28.5 weight percent. Bruce E. Roberts and Alan E. Mather, Chem. Eng. Comm., Vol. 65, pp. 105-111 (1988). Tjoon T. Teng and Alan E. Mather, J. Chem. Eng. Data, Vol. 35, pp. 410-411 (1990).
Additional Data Packages

A special data package is also available for this amine system in the form of an insert file: KEAMP. This data package contains kinetic reactions and rate constants, allowing you to model the AMP system more accurately using RADFRAC or RATEFRAC.

Ammonia and Carbon Dioxide

The components included in this system are: ammonia ( NH 3 ), carbon dioxide ( CO2 ), and water. Henry's law is used for NH 3 and CO2 . Applications: Sour water stripping Absorption of CO2 with ammonia
Solution Chemistry

The aqueous phase reactions that are considered are:

2H2 O
CO2 + 2 H2 O
HCO3 + H2O

H3O+ + OH
H3O+ + HCO3 H3O+ + CO3 2 + NH4 + OH NH2 CO2 + H2O

NH3 + H2O
NH3 + HCO3

Range of Applicability

Temperature Pressure
NH 3 concentration

0 100C 250 psia up to approximately 23 molal up to approximately 8 molal

CO2 concentration

2-4 Electrolytes Data

Physical Property Data 11.1

Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975. E. Otsaka, S. Yoshimura, M. Yokabe and S. Inque, Kogyo Kagaku Zasshi, 63, 1214 (1960).

Ammonia and Hydrogen Cyanide

The components included in this system are: water, ammonia ( NH 3 ), and hydrogen cyanide (HCN). Henrys law is used for NH 3 and HCN. Application: Absorption of HCN with NH 3
Solution Chemistry

The aqueous phase reactions considered in this system are:

2 H2 O H2O + NH3 HCN + H2O
Range of Applicability

H3O + + OH
+ NH4 + OH

H3O+ + CN

Temperature
NH 3 concentration

0 100C up to about 23 molal

Physical Property Data 11.1

Electrolytes Data 2-5

Ammonia and Hydrogen Sulfide

The components included in this system are: ammonia ( NH 3 ), hydrogen sulfide ( H 2 S ), and water. Henrys law is used for NH 3 and H 2 S . Applications: Sour water stripping Absorption of H 2 S with ammonia
Solution Chemistry

The aqueous phase reactions that are considered are:

2 H2 O
NH3 + H2 O H2 S + H2 O

H3O+ + OH
+ NH4 + OH

H3O+ + HS
H3O + + S
2

HS + H2 O
Range of Applicability

Temperature Pressure
NH 3 concentration

80 120C 250 psia up to approximately 23 molal up to approximately 8 molal

H 2 S concentration

Extrapolation for this system has been checked to produce reasonable results.
Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975.

2-6 Electrolytes Data

Physical Property Data 11.1

Ammonia and Phosphoric Acid

The components included in this system are: ammonia ( NH 3 ), phosphoric acid ( H 3 PO 4 ), H 2 S , and water. Henrys law is used for, NH 3 , H 3 PO 4 and H 2 S . Application: Stripping NH 3 , H 2 S from phosphoric acid
Solution Chemistry

The aqueous phase reactions considered for this system are:

2H 2 O H2O + NH3 H 2 S + H2 O

H3O+ + OH
+ NH4 + OH

H3O+ + HS H3O+ + S 2
H3O+ + H2 PO4 H3O+ + HPO4 2 H3O+ + PO4 3

HS + H2 O
H3 PO4 + H2 O
H 2 PO4 + H2 O HPO4 2 + H2 O

Range of Applicability

Temperature
H 3 PO 4 concentration
NH 3 : H 3 PO 4 molar ratio
Data Sources

up to 120C up to 50 weight percent up to 2

F.A. Lenfesty and Brosheer, J.C., "Ammonia-Phosphoric Acid-Water System at 25C," J. Chem. and Eng. Data, (1960). N.G. Bunakov and Kharlampovich, G.D., "The pressure of Ammonia Vapor Above Solutions of Ammonium Orthophosphate," Zhurnal Prokladnoi Khimii, Vol. 37, pp. 3641, (1964).

Physical Property Data 11.1

Electrolytes Data 2-7

Ammonia and Sulfur Dioxide

The components included in this system are: water, ammonia ( NH 3 ), and sulfur dioxide ( SO 2 ). Henrys law is used for NH 3 and. SO 2 . Application: Absorption of SO 2 with ammonia
Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O H2O + NH3 SO2 + 2 H2 O
HSO3 + H2 O

H3O+ + OH
+ NH4 + OH H3O+ + HSO3 H3O+ + SO3 2

Range of Applicability

Temperature
NH 3 concentration

0 100C to about 12 molal to about 10 molal

SO 2 concentration
Data Sources

H.F. Johnstone and P.W. Leppla, "The Solubility of Sulfur Dioxide at Low Partial Pressures. The Ionization Constant and Heat of Ionization of Sulfurous Acid," J. Am. Chem. Soc, Vol. 56, p. 2233, (1934).

Ammonia and Water

The components included in this system are: water and ammonia ( NH 3 ). Henry's law is used for NH 3 . Application: Absorption of NH 3 with water
Solution Chemistry

The aqueous phase reactions considered in this system are:

2 H2 O H2O + NH3

H3O + + OH
+ NH4 + OH

2-8 Electrolytes Data

Physical Property Data 11.1

Range of Applicability

Temperature
NH 3 concentration
Additional Data Packages

0 150C up to about 23 molal

A special data package is also available for the ammonia system in the form of an insert file: NH3H2O. This data package assumes ammonia as a solvent and uses a special corresponding state method for enthalpy calculation, allowing you to model the ammonia system over the concentration range up to 100 weight percent of ammonia.

Brine Solution with Sour Gases

The components included in this system are H 2 S , CO 2 , NaCl and water. Henry's law is used for H 2 S and CO 2 . Applications: Sea water desalting
H 2 S , CO 2 stripping

Downstream processing of water decant in platform separation

Solution Chemistry

The aqueous phase reactions considered in this system are:

2H2O H 2 S + H2 O

H3O+ + OH H3O+ + HS H3O+ + S 2

H3O+ + HCO3 H3O+ + CO3 2

HS + H2 O
2H2O + CO2
HCO3 + H2O

NaCL NaCL(s)
Range of Applicability

Na + + Cl Na + + Cl

Temperature Pressure NaCl concentration

0 200C up to 1000 atm for CO 2 up to saturation

Physical Property Data 11.1

Electrolytes Data 2-9

Data Sources

The main data source is: S.E. Drummond, Ph.D. thesis, Pennsylvania State University, (1981).
Additional Data Packages

A special data package is also available for this brine system in the form of an insert file: EBRINX. This data package uses special parameter values, allowing you to model the brine system over the temperature range up to 400C

Caustic Solutions
The components included in this system are: sodium hydroxide (NaOH), sodium chloride (NaCl), sodium sulfate ( Na 2SO 4 ), and water. Salt precipitation is considered. Application: Downstream processing of HCl or H 2 SO 4 neutralization Multieffect evaporators in NaOH production

Solution Chemistry

The aqueous phase reactions considered for this system are: NaOH NaCl NaCl(s)
Na2 SO4 Na2 SO4 (s)

Na + + OH Na+ + Cl Na+ + Cl
2Na+ + SO4 2 2Na+ + SO4 2 2Na+ + SO4 2 + 10 H2 O 3Na+ + SO4 2 + OH 4Na+ + SO4 2 + Cl + OH

GLAUBER(s) DOUBLE(s) TRIPLE(s)

Salt precipitation is considered for NaCl(s), Na2SO4(s), as well as for the Glauber, double, and triple salts.
Range of Applicability

Temperature Pressure NaOH concentration NaCl concentration Na2SO4 concentration

2-10 Electrolytes Data

0 200C up to 10 atm up to 50 weight percent up to saturation up to saturation

Physical Property Data 11.1

Data Sources

H.L. Silcock, Solubilities of Inorganic and Organic Compounds, Volume 3: Ternary and Multicomponent Systems of Inorganic Substances, Part 2, (Pergamon Press, 1979). W.F. Linke and A. Seidell, Solubilities: Inorganic and MetalOrganic Compounds, 4th ed., Vol. II, Am. Chem. Soc., (1965). W. C. Schroeder, A. Gabriel, and E. P. Partridge, J. Am. Chem. Soc., Vol. 57, (1935), p. 1539.

Chlorine and Water

The components included in this system are chlorine ( Cl 2 ) and water. Henrys law is used for Cl 2 , HCl, and HClO. Application: Absorption of Cl 2 with water
Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O 2H2O + Cl2 HClO + H2O HCl + H2O
Range of Applicability

H3O+ +OH H3O+ + Cl - + HClO H3O+ + ClO-

H 3O + + Cl-

Temperature
Data Sources

0 100C

This system forms two liquid phases at high concentration. Vapor-liquid equilibrium data used for this system: W. F. Linke, Solubilities, Inorganic and Metal-Organic Compounds, 4th ed.,Vol. I, (Princeton, NJ: D. Van Nostrand Co., 1958), pp. 782-783.

Chlorine, Hydrogen Chloride, and Sodium Hydroxide

The components included in this system are: chlorine ( Cl 2 ), carbon dioxide ( CO 2 ), hydrogen chloride (HCl), sodium hydroxide (NaOH), and water. Henry's law is used for Cl 2 , CO 2 , HCl and HClO.
Physical Property Data 11.1 Electrolytes Data 2-11

Application: Cl 2 - NaOH scrubber with the addition of HCl

Solution Chemistry

The aqueous phase reactions considered for this system are:

2H 2 O CO2 + 2H2O

H3O+ +OH H3O+ + HCO3 H3O+ + CO3 2

HCO3 + H2O
Cl2 + 2H2O HClO + H 2O HCl + H2O

H 3O++Cl - + HClO
H3O+ + ClOH3O+ + Cl Na+ + OH

NaOH
Na2CO3 NaHCO3

Na+ + CO3 2 Na+ + HCO3

Na+ + Cl Na+ + ClO

NaCl NaCLO
Range of Applicability

Temperature HCl concentration NaOH concentration

Data Sources

0 100C up to 40 weight percent up to 40 weight percent

Jurgen Krey, "Dampfdruck und Dichte des Systems H 2 O -NAOH," Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I.A. Dibrov, G.Z. Maltsev, and V.P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range Over a Wide Range of Concentrations, Zh. Prik. Khimii," Vol. 37, (1964), No. 9, pp. 1920-1929. J.W. Bertetti and W.L. McCabe, Ind. Eng. Chem., 28, p. 247, (1936). H.R. Wilson and W.L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, p. 558, (1942). Horvath, Handbook of Aqueous Electrolyte Solutions, 1986.

2-12 Electrolytes Data

Physical Property Data 11.1

W. F. Linke, Solubilities, Inorganic and Metal-Organic Compounds, 4th ed., Vol. I, D. Van Nostrand Co., Priceton, NJ, (1958), pp. 782-783. D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R.H. Pery and C. H. Chilton, Chemical Engineers Handbook, 5th ed., (1973) McGraw-Hill. R. Vega and J. H. Vera, Can. J. Chem. Eng., Vol.54, (1976), p. 245. R. Hasse et al., Coll. Czech. Chem. Comm. Engl. Edn., Vol. 37, p. 220, (1963).

Diethanolamine with Acid Gases

The components included in this system are: H 2 S , CO2 , diethanolamine (DEA), and water. Henrys law is used for H 2 S and CO2 . Enthalpy of solution data is used to develop this model. Application: H 2 S and CO2 absorption/stripping with DEA solutions
Solution Chemistry

The aqueous phase reactions considered for this system are:

2H 2 O H 2 S + H 2O

H3O+ +OH H3O+ + HS H3O+ + S -2

H3O+ + HCO3 -2 H3O+ + CO3

HS - + H2O
2H2O + CO2
HCO3 + H2O

DEA+ + H2 O DEACOO + H2O

Range of Applicability

DEA + H3O+
DEA + HCO3

Temperature DEA Concentration

Data Sources

up to 140C up to 30 weight percent

The parameter values are obtained from: D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid Gas-

Physical Property Data 11.1

Electrolytes Data 2-13

Alkanolamine System Using the Electrolyte-NRTL Equation," paper presented at the New Orleans AICHE meeting, March 1988. Helton, R., J.J. Christensen and R.M. Izatt, Enthalpies of Solution of CO2 in Aqueous Diethanolamine Solutions," RR-108, Gas Processors Association, 1987. Van Dam, R., J.J. Christensen, R.M. Izatt and J.L. Oscarson, "Enthalpies of Solution of H2S in Aqueous Diethanolamine Solutions, RR-114, Gas Processors Association, 1988.
Additional Data Packages

Two special data packages are also available for this amine system in the form of insert files: KDEA and KEDEA. Both data packages contain kinetic reactions and rate constants, allowing you to model the DEA system more accurately using RADFRAC or RATEFRAC. The main difference between KDEA and KEDEA is that KDEA uses option set of SYSOP15M and KEDEA uses option set of ELECNRTL.

Diglycolamine with Acid Gases

The components included in this system are: H 2 S , CO2 , diglycolamine (DGA), and water. Henrys law is used for H 2 S and
CO2 .

Application: H 2 S and CO2 absorption/stripping with DGA solutions

Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O DGA + 2H2O H 2 S + H 2O

H3O+ +OH DGA+ + OH -

H3O+ + HS H3O+ + S -2
H3O+ + HCO3

HS - + H2O
CO2 + 2H2O
HCO3 + H2O HCO3 + DGA

H3O+ + CO3-2 H2O+ DGACOO-

Range of Applicability

Temperature DGA concentration

up to 100C up to 65 weight percent

2-14 Electrolytes Data

Physical Property Data 11.1

Additional Data Packages

A special data package is also available for this amine system in the form of an insert file: KEDGA. This data package contains kinetic reactions and rate constants, allowing you to model the DGA system more accurately using RADFRAC or RATEFRAC.

Flue-Gas and Water

This is a special data package in the form of an insert file: FLUE_G. The components included in the flue-gas / water system are: water, SO2, SO3, CO, CO2, NO, NO2, N2, O2, HCl, HF, HNO3, HNO2, H2SO4, H2SeO3, HgCl2, Hg2Cl2, Hg, C, Se, SeO2, Hg(OH) 2, CaSO4*2H2O, CaF2, CaO and Ca(OH) 2. Henrys law is used for SO2, CO, CO2, NO, N2, O2, HCl and Hg. Salt precipitation is considered. Application: flue-gas cleaning for fossil power plant and waste incineration plant
Solution Chemistry

The reactions that are considered in this system are shown as follows:
2 H2 O CO2 + 2 H2 O

H3O+ + OH H3O+ + HCO3 H3O+ + CO3 2

H3O+ + HSO4 H3O+ + HSO4 -2 H3O+ + SO4

HCO3 + H2 O

SO3 + 2 H 2 O
H2O + H2 SO4
H 2 O + HSO4

HCl + H2 O H2O + HF H2O + HNO3

H3O+ + Cl H3O+ + F H3O+ + NO3

H 3O+ + NO2
H3O+ + HSO3 H3O+ + SO3 2

H 2 O + HNO2
SO2 + 2 H2 O
HSO3 + H2 O

SeO2 + 2 H 2 O
HSeO3 + H 2 O

H 3O + + HSeO3 H3O + + SeO3 2

Physical Property Data 11.1

Electrolytes Data 2-15

H2 SeO3 + H2 O

H 3O + + HSeO3 + Hg 2 2

Hg +2 + Hg Hg +2 + 2 H 2 O
Hg (OH ) + + 2 H2 O

H 3O + + Hg ( OH ) + H 3O + + Hg ( OH )2 HgCl +
HgCl2
HgCl3

Hg +2 + Cl
HgCl + + Cl

HgCl2 + Cl
NO + NO2 + H 2 O HgCl2 + 3 H 2 O + 0.5C
SO2 + 2 H 2 O + 0.5SeO2

2 HNO2

Hg + 2Cl + 2 H 3O + + 0.5CO2
HSO4 + H 3O + + 0.5Se

SO2 + NO2 SO2 + 0.5O2 SO2 + NO2

SO3 + NO SO3 SO3 + NO Ca +2 + OH 2 HNO3

Ca( OH ) +
2 NO2 + 0.5O2 + H 2 O CaO + H 2 O HgCl2 + 5 H 2 O + SO2 Hg 2 Cl2 HgCl2(s) CaSO4* 2 H 2 O(s) CaF2(s) Ca( OH ) 2 (s)
Range of Applicability

Ca ( OH ) + + OH
Hg + 2Cl + 3 H 3O + + HSO4 + Hg2 2 + 2Cl

HgCl + + Cl
Ca +2 + SO4 2 + 2 H 2 O

Ca +2 + 2 F

Ca ( OH ) + + OH

Temperature
Data Sources

0 100C

M. Luckas, K. Lucas and H. Roth, AIChE Journal, Vol. 40, pp 1892-1900, (1994).

2-16 Electrolytes Data

Physical Property Data 11.1

H. L. Clever, S. A. Johnson and M. E. Derrick, J. Phys. Chem. Ref. Data, Vol. 14, pp 631-680, (1985). L. D. Hansen, R. M. Izatt and J. J. Christensen, Inorg. Chem., Vol. 2, pp 1243-1245, (1963).

Hot Carbonate CO2 Absorption

The components included in the hot carbonate CO 2 absorption system are: water, CO 2 , and potassium carbonate ( K 2CO3 ). Henrys law is used for CO 2 . Salt precipitation is considered. Application: CO 2 absorption/stripping with K 2CO3 solutions
Solution Chemistry

The aqueous phase reactions that are considered in this system are shown as follows:
K 2CO3 KHCO3 CO2 + 2 H2 O

2K + + CO3 2 K + + HCO3 H3O+ + HCO3 H3O+ + CO3 2 H3O+ + OH 2K + + HCO3 K + + HCO3

HCO3 + H2 O
2 H2 O K 2CO3 ( s) KHCO3 ( s )
Range of Applicability

Temperature Pressure
K 2CO3 oncentration

70 140C up to approximately 150 psia up to 40 weight percent

Extrapolation to higher temperature, pressure, and potassium carbonate concentration will also give reasonable results.
Data Sources

Physical Property Data 11.1

Electrolytes Data 2-17

Hot Carbonate with Diethanolamine

The components included in this system are: CO 2 , potassium carbonate ( K 2CO3 ), diethanolamine (DEA), and water. Henrys law is used for CO 2 . Application: CO 2 absorption/stripping with K 2CO3 and DEA solutions
Solution Chemistry

The aqueous phase reactions considered in this system are:

2 H2 O CO2 + H2O

H3O+ + OH H3O+ + HCO3 H3O+ + CO3 2 DEA + H3O+

DEA + HCO3 -2 2K + + CO3 K + + HCO3

HCO3 + H2 O DEA+ + H2 O DEACOO + H2O

K 2CO3 KHCO3
Range of Applicability

Temperature Pressure
K 2CO3 concentration

70 140C up to approximately 150 psia up to 40 weight percent up to 30 weight percent

DEA concentration
Data Sources

J. S. Tosh, J.H. Field, H.E. Benson, and W.P. Haynes, "Equilibrium Study of the System Potassium-Carbonate, Potassium Bicarbonate, Carbon Dioxide, and Water.", Report of Investigation 5484, U.S. Department of Interior, 1959. D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation," Paper presented at the New Orleans AICHE Meeting, March, 1988.

2-18 Electrolytes Data

Physical Property Data 11.1

Hydrogen Bromide
The components included in this system are: water and hydrogen bromide (HBr). Application: Absorption of HBr from gas or air using water
Solution Chemistry

The aqueous phase reaction considered in this system is:

HBr + H2 O

+ The H 2O dissociation reaction is not considered because the H3O concentration is determined primarily by HBr dissociation reaction.

Range of Applicability

Temperature Pressure HBr concentration

Data Sources

25 125C up to 780 torr up to 60 weight percent

D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. S.J. Bates, and H.D. Kirschman, J. Am. Chem. Soc, Vol. 41, (1991), p. 1919. L. Chevaller and Gaston-Bonhomme Y.H., J. Chem. Eng. Data, (1980), Vol. 25, p. 271. R. Hasse et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37, (1963), p. 220. G. Wuster, G. Wozny, and Z. Giazitzoglou, Fluid Phase Eq., Vol. 6, (1981), p. 93. International Critical Tables, Vol. 3, p. 306.

Hydrogen Chloride
The components included in this system are: water and hydrogen chloride (HCl). Henry's law is used for HCl. Application: Absorption of HCl from gas or air, using water

Physical Property Data 11.1

Electrolytes Data 2-19

Solution Chemistry

The aqueous phase reaction considered in this system is:

HCl + H2 O

H3O+ + Cl

The water dissociation reaction is not considered because the reaction.

Range of Applicability

H3O + concentration is determined primarily by HCl dissociation

Temperature Pressure HCl concentration

Data Sources

0 110C up to 2 bar up to 40 weight percent

D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry, and C.H. Chilton, Chemical Engineers Handbook, 5th ed., McGraw-Hill, (1973). R. Vega, and J.H. Vera, Can. J. Chem. Eng., Vol. 54, (1976), p. 245. Hasse, R. et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37, (1963), p. 220.
Additional Data Packages

Two special data package are also available for hydrogen chloride system in the form of insert files: EHCLLE and EHCLFF. EHCLLE is for liquid-liquid equilibrium applications. EHCLFF uses the vapor-liquid equilibria (VLE) data of Fritz and Fuget (Ind. And Eng. Chem., 10, 1956) instead of those from Perry and Chilton in parameter regression. It is believed that the VLE data of Fritz and Fuget is more accurate at low concentration range.

Hydrogen Chloride and Magnesium Chloride

The components included in this system are: water, hydrogen chloride (HCl), and magnesium chloride ( MgCl 2 ). Henry's law is used for HCl. Application: Extractive distillation of HCl Breaking the H 2O -HCl azeotrope

2-20 Electrolytes Data

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reaction considered in this system is:

H2O + HCl MgCl2
Range of Applicability

H3O+ + Cl Mg+2 + 2Cl

Temperature HCl concentration

MgCl 2 concentration
Data Sources

0 100C up to 40 weight percent up to 6 m

T. Sako et al., J. Chem. Eng. Data, Vol. 30, (1985), pp. 224-228. N. Pochtarev and Kozhemyakin, V.A., Tsvetn. Met., Vol. 4, (1977), pp. 47-49.

Hydrogen Fluoride
The components included in this system are: water and hydrogen fluoride (HF). Hydrogen fluoride is treated as a solvent, so Henry's law is not used. Application: Absorption of HF from gas or air, using water
Solution Chemistry

The aqueous phase reaction considered in this system is:

H2O + HF
Range of Applicability

H3O+ + F -

Temperature Pressure HF concentration

Data Sources

25 100C up to 1.2 bar up to 100 weight percent

D. D. Wagman et al., J. Phys. Chem. Ref. Data, (1982), 11, Suppl 2. J. C. Brosheer, F.A. Lenfesty, and K.L. Elmore, Ind. Eng. Chem, Vol. 39, No. 3, (1947), p. 423. P. A. Munter, Aepli, O.T., and Kossatz, R.A., Ind. Eng. Chem., Vol. 39, No. 3, (1947), p. 427. Weast, Handbook of Chemistry and Physics, (CRC Press: 198788), p. D-122.

Physical Property Data 11.1

Electrolytes Data 2-21

Additional Data Packages

A special data package is also available for the hydrogen fluoride system in the form of an insert file: MHF2. This data package uses option set of ENRTL-HF which considers HF association in the vapor phase.

Hydrogen Iodide and Water

The components included in this system are hydrogen iodide (HI) and water. Henrys Law is used for HI. Application: Absorption of HI from gas or air, using water
Solution Chemistry

The aqueous phase reaction considered in this system is:

HI + H2O

H3O+ + I
+

Water dissociation is not considered because the H3O concentration is determined primarily by HI dissociation reaction.
Range of Applicability

Temperature Pressure HI concentration

Data Sources

25 130C up to 1 bar up to 70 weight percent

D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. T. Sako, et al., Kagaku Kogako Ronbunshu, Vol. 7, No. 2, (1981), p. 191. S. J. Bates, and H.D. Kirschman, J. Am. Chem. Soc., Vol. 41, (1991) p. 1919.

Methyldiethanolamine with Acid Gases

The components included in this system are: H 2S , CO2 , methyldiethanolamine (MDEA), and water. Henry's law is used for
H 2S and CO2 . Enthalpy of solution data is used to develop this

model. Application: H 2S and CO2 absorption/stripping with MDEA solutions

2-22 Electrolytes Data

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reactions considered for this system are:

2H 2 O H 2 S + 2 H 2O

H3O+ + OH H3O+ + HS H3O+ + S 2 H3O+ + HCO3 H3O+ + CO3 2 H3O+ + MDEA

HS + H2O
CO2 + 2 H2O
HCO3 + H2O

MDEA + + H2O
Range of Applicability

Temperature MDEA concentration

Data Sources

25 120C up to 51.4 weight percent

Jou Fang-Yuan et al., Can. J. Chem. Eng., Vol. 71, (1993), p. 264. Jou Fang-Yuan, A. E. Mather and F. D. Otto, Ind. Eng. Chem. Process Des. Dev., Vol. 21, (1982), p. 539. D. M. Austgen, G. T. Rochelle, and C. -C. Chen, Ind. Eng. Chem. Res., Vol. 30, (1991), p. 543. Jou Fang-Yuan, J.J. Carroll, A.E. Mather, and F.D. Otto, J. Chem. Eng. Data, Vol. 38, (1993), p. 75. Merkley, K.E., J.J. Christensen and R.M. Izatt, "Enthalpies of Solution of CO2 in Aqueous Methyldiethanolamine Solutions," RR-102, Gas Processors Association, 1986. Oscarson, J.L., and R.M. Izatt, "Enthalpies of Solution of H2S in Aqueous Diethanolamine Solutions," RR-127, Gas Processors Association, 1990.
Additional Data Packages

Three special data packages are also available for this amine system in the form of insert files: KMDEA, KEMDEA and PMDEA. Both KMDEA and KEMDEA contain kinetic reactions and rate constants, allowing you to model the MDEA system more accurately using RADFRAC or RATEFRAC. The main difference between KMDEA and KEMDEA is that KMDEA uses option set of SYSOP15M and KEMDEA uses option set of ELECNRTL. PMDEA is based on the work of Posey and Rochelle ( Ind. Eng. Chem. Res., Vol. 36, 1997, p. 3944-3953). PH and conductivity data are utilized to supplement vapor-liquid equilibria data in parameter regression. The result at low acid gas loading is improved.
Electrolytes Data 2-23

Physical Property Data 11.1

Monoethanolamine with Acid Gases

The components included in this system are: H 2S , CO2 , monoethanolamine (MEA), and water. Henrys law is used for
H 2S and CO2 .

Applications: Cleaning natural gas or flue gas

H 2S , CO2 absorption/stripping using aqueous MEA solutions
Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O H 2 S + 2 H 2O

H3O+ + OH H3O+ + HS H3O+ + S 2

H3O+ + HCO3 H3O+ + CO3 2

HS + H2O
CO2 + 2 H2O
HCO3 + H2O

MEA + + H2O MEACOO + H2O

Range of Applicability

H3O+ + MEA
HCO3 + MEA

Temperature MEA concentration

Data Sources

up to 120C up to 50 weight percent

The parameter values are obtained from: D.M. Austgen, G.T. Rochelle, X. Peng, and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation," Paper presented at the New Orleans AICHE Meeting, March 1988.
Additional Data Packages

Two special data packages are also available for this amine system in the form of insert files: KMEA and KEMEA. Both data packages contain kinetic reactions and rate constants, allowing you to model the MEA system more accurately using RADFRAC or RATEFRAC. The main difference between KMEA and KEMEA is that KMEA uses option set of SYSOP15M and KEMEA uses option set of ELECNRTL.

2-24 Electrolytes Data

Physical Property Data 11.1

Nitric Acid
The components included in this system are nitric acid ( HNO3 ) and water. Application: Nitric acid distillation
Solution Chemistry

The aqueous phase reaction considered in this system is:

H2O + HNO3

H3O+ + NO3

+ Water dissociation is not considered because the H3O

concentration is determined primarily by HNO3 dissociation reaction.

Range of Applicability

Temperature
HNO3 concentration
Data Sources

0 100C up to 100 weight percent

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineers Handbook, 6th ed., McGraw-Hill, (1984). Kirk Othmer, Encyclopedia of Chemical Technology, Vol. 15, p. 855.

Potassium Hydroxide
The components included in this system are potassium hydroxide (KOH) and water. Application: Upstream of neutralization
Solution Chemistry

The aqueous phase reaction considered in this system is: KOH

Range of Applicability

K + + OH

Temperature KOH concentration

0 80C up to 36 weight percent

Physical Property Data 11.1

Electrolytes Data 2-25

Data Sources

H. S. Harned and B. B. Owen, The Physical Chemistry of Electrolytic Solutions, 3rd ed., Reinhold Publishing Corporation, New York (1958). D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl. 2.

Sodium Hydroxide
The components included in this system are sodium hydroxide (NaOH) and water. Application: Upstream of neutralization
Solution Chemistry

The aqueous phase reaction considered in this system is: NaOH

Range of Applicability

Na + + OH

Temperature NaOH concentration

Data Sources

0 200C up to 40 weight percent

Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558. Horvath, Handbook of Aqueous Electrolyte Solutions, (1986).
Additional Data Packages

A special data package is also available for the sodium hydroxide system in the form of an insert file: MNAOH. This data package considers ion hydration effect, allowing you to model the sodium hydroxide system over the concentration range up to 60 weight percent.

2-26 Electrolytes Data

Physical Property Data 11.1

Sodium Hydroxide and Sulfur Dioxide

The components included in this system are: water, sulfur dioxide ( SO 2 ), and sodium hydroxide (NaOH). Henrys law is used for
SO 2 .

Application: Absorption of SO 2 in NaOH solution

Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O 2 H 2O + SO2
HSO3 + H2O

H3O+ + OH H3O+ + HSO3

H3O+ + SO3 2

NaOH
Range of Applicability

Na+ + OH

Temperature NaOH concentration SO2 concentration

Data Sources

35 90C up to 8 molal up to 7 molal

H.F. Johnstone et al., "Recovery of Sulfur Dioxide From Waste Gases," Ind. Eng. Chem., Vol. 30, (1938), p. 101. Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558. Horvath, Handbook of Aqueous Electrolyte Solutions, (1986). E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku Zasshi, Vol. 63, (1960), p. 1214.

Physical Property Data 11.1

Electrolytes Data 2-27

Sour Water
The components included in this sour water system are: ammonia ( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and water. Henrys law is used for NH 3 , CO2 , and H 2S . Application: Sour water stripping
Solution Chemistry

The aqueous phase reactions that are considered in this system are:
2H 2 O H 2 S + H2 O

H3O+ + OH H3O+ + HS H3O+ + S 2

H3O+ + HCO3 H3O+ + CO3 2 + NH4 + OH NH2 CO2 + H2O

HS - + H2 O
CO2 + 2 H2 O
HCO3 + H2O

NH3 + H2O
NH3 + HCO3

Range of Applicability

Temperature Maximum Pressure

NH 3 concentration

0 120C 250 psia up to about 23 molal up to about 8 molal up to about 8 molal

H 2S concentration CO2 concentration

Extrapolation of this system has been checked to produce reasonable results.

Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975.

Sour Water and Caustic

The components included in this system are: water, ammonia ( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and caustic (NaOH). Henry's law is used for NH 3 , CO2 , and H 2S . Applications: Sour water with caustic

2-28 Electrolytes Data

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reactions considered in this system are:

2H 2 O H 2 S + 2 H 2O

H3O+ + OH H3O+ + HS H3O+ + S 2

H3O+ + HCO3 H3O+ + CO3 2 + NH4 + OH NH2 CO2 + H2O

HS + H2O
CO2 + 2 H2O
HCO3 + H2O

NH3 + H2 O
NH3 + HCO3

NaOH
Range of Applicability

NA + + OH

Temperature Pressure
NH 3 concentration

0 100C 250 psi up to 23 molal up to 8 molal up to 8 molal up to 20 weight percent

H 2S concentration CO2 concentration

NaOH concentration
Data Sources

D.H. Miles and G.M. Wilson, "Vapor-Liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975. Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku Zasshi, Vol. 63, (1960), p. 1214. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p. 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558.

Physical Property Data 11.1

Electrolytes Data 2-29

Horvath, Handbook of Aqueous Electrolyte Solutions, (1986).

Sulfuric Acid
The components included in this system are: water and sulfuric acid ( H 2SO4 ). Application: Sulfuric acid production
Solution Chemistry

The aqueous phase reactions considered in this system are:

H2O + H2 SO4
H 2 O + HSO4

H3O+ + HSO4 -2 H3O+ + SO4

Range of Applicability

Temperature
H 2SO4 concentration
Data Sources

0 200C up to 98 weight percent

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineers Handbook, 6th ed., McGraw-Hill, (1984).

Sulfuric Acid and Hydrogen Bromide

The components included in this system are sulfuric acid ( H 2SO4 ), hydrogen bromide, and water. Application: Simultaneous HBr + H 2SO4 absorption Break azeotrope H 2O + H2SO4
Solution Chemistry

The aqueous phase reactions considered in this system are:

H2 SO4 + H2O
HSO4 + H2O

H3O+ + HSO4 -2 H3O+ + SO4

HBr + H2O

H3O+ + Br -

2-30 Electrolytes Data

Physical Property Data 11.1

Range of Application

Temperature HBr concentration

H 2SO4 concentration
Data Sources

25 125C up to 60 weight percent up to 98 weight percent

Sulfuric Acid and Hydrogen Chloride

The components included in this system are: water, hydrogen chloride (HCl), and sulfuric acid ( H 2SO4 ). Henry's law is used for HCl. Applications: Simultaneous HCl + H 2SO4 Break azeotrope H 2O + H 2SO4

Solution Chemistry

The aqueous phase reactions considered in this system are:

H2O + H2 SO4
HSO4 + H2O

H3O+ + HSO4 -2 H3O+ + SO4

H2O + HCl

H3O+ + Cl -

Physical Property Data 11.1

Electrolytes Data 2-31

Range of Applications

Temperature HCl concentration

H 2SO4 concentration
Data Sources

0 110C up to 16 molal up to 100 weight percent

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineers Handbook, 6th ed., McGraw-Hill, (1984). J-L. E. Chevalier and Y. H. Gaston-Bonhomme, J. Chem. Eng. Data, Vol. 25, (1980), p. 271.

2-32 Electrolytes Data

Physical Property Data 11.1

CHAPTER 3

Group Contribution Method Functional Groups

Overview
The tables in this chapter list the groups for each of the group contribution methods available in the Aspen Physical Property System. The tables are: PCES Functional Groups UNIFAC Functional Groups

PCES Functional Groups

Tables 3.1 through 3.11A list the functional groups for the methods used in the Property Constant Estimation System (PCES). There are two types of functional groups: Group increments, such as CH 3 or COO3 Corrections, such as the correction for the presence of a benzene ring

You must identify both kinds of functional groups for any method used. Identify group increments to account for all the atoms in a molecule. Then identify any corrections to be applied. The group definitions for most methods are obtained from Reid et al., The Properties of Gases and Liquids, 3rd and 4th editions, McGraw-Hill, 1977 and 1987. Groups for the Bondi Method are adapted from A. Bondi, Physical Properties of Molecular Liquids, Wiley, 1968. Groups for the Ogata-Tsuchida method are from Reid and Sherwood, The Properties of Gases and Liquids, 2nd edition,

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-1

McGraw-Hill, 1966. Slight modifications have been made to the group definitions for the Fedors and Parachor methods. Table 3.1 Ambrose Method Functional Groups
Functional Group
1

Group Number 100

Carbon Atoms in Alkyl Groups

Corrections: >CH- (each) >C<(each) Double Bonds (nonaromatic) Triple Bonds Delta Platt Number 2
Aliphatic Functional Groups

101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124

-O>C=O O=CH- (aldehyde) -COOH (acid) -CO-O-CO- (anhydride) -COO- (ester) -NO2 -NH2 >NH >N-CN -S-SH -SIH3 -O-SI(CH3)2 -F -CL -BR -I
Halogen Corrections in Aliphatic Compounds

-F is present -F is absent, but -CL, -BR, -I are present Aliphatic alcohols3, -OH3

125 126 127

3-2 Group Contribution Method Functional Groups

Physical Property Data 11.1

Ring Compound Increments (listed only when different from aliphatic values)

>CH2 >CH- (in fused ring) Double Bond -O>NH -SAromatic Compounds

128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156

Benzene Pyridine C4H4 (fused as in Naphthalene) -F -CL -BR -I -OH Corrections for nonhalogenated substitutions First substitution Each subsequent Ortho pairs containing -OH Ortho pairs with no -OH
Highly Fluorinated Aliphatic Compounds

-CF3, >CF2, >CF>CF2, >CF- (RING) >CF- (in fused ring) -H (monosubstitution) Double bond (nonring) Double bond (ring)
Compound Containing Only

Halogen
Silicon

>SI< >SIH-SI-O-SI-O-(ring)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-3

Table 3.2 Benson Method Functional Groups

Functional Group Hydrocarbon Groups

Group Number

C-(C)(H)3 C-(C)2(H)2 C-(C)3(H) C-(C)4 CD-(H)2 4 CD-(C)(H) CD-(C)2 CD-(CD)(H) CD-(CD)(C) CD-(CD)2 CD-(CB)(H) CD-(CB)(C) CD-(CB)2 CD-(CT)(H) CD-(CT)(C) C-(CD)(H)3 C-(CD)2(H)2 C-(CD)(C)(H)2 C-(CD)(C)3 C-(CD)(C)(H)2 C-(CD)(C)2(H) C-(CD)2(C)(H) C-(CT)(H)3 C-(CT)(C)(H)2 C-(CT)(C)2(H) C-(CT)(C)3 C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)2(C)(H) C-(CB)2(C)2 C-(CB)(CD)(H)2 CT-(H) 5 CT-(C) CT-(CD) CT-(CB) CB-(H) 6

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 402 125 126 127 128 129 130 131 132 133 134 135 136

3-4 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Hydrocarbon Groups

Group Number

CB-(C) CB-(CD) CB-(CT) CB-(CB) CA 7 CBF-(CB)2(CBF) CBF-(CB)(CBF)2 CBF-(CBF)3 Alkane Gauche Alkene Gauche Cis Ortho

137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170

Next-Nearest-Neighbor Correction

Corrections for Ring Compounds

Cyclopropane Cyclopropene Cyclobutane Cyclobutene Cyclopentane Cyclopentene Cyclopentadiene Cyclohexane Cyclohexene Cycloheptane Cyclooctane Naphthalene
Oxygen-Containing Compounds

CO-(CO)(H) CO-(CO)(C) CO-(O)(CD) CO-(O)(CB) CO-(O)(C) CO-(O)(H) CO-(CD)(H) CO-(CB)2 CO-(CB)(C) CO-(CB)(H)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-5

Functional Group Oxygen-Containing Compounds

Group Number

CO-(C)2 CO-(C)(H) CO-(H)2 O-(CB)(CO) O-(CO)2 O-(CO)(O) O-(CO)(CD) O-(CO)(C) O-(CO)(H) O-(O)(C) O-(O)2 O-(O)(H) O-(CD)2 O-(CD)(C) O-(CD)(H) O-(CB)2 O-(CB)(C) O-(CB)(H) O-(C)2 O-(C)(H) CD-(CO)(O) CD-(CO)(C) CD-(CO)(H) CD-(O)(CD) CD-(O)(C) CD-(O)(H) CB-(CO) CB-(O) C-(CO)2(H)2 C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2 C-(O)2(C)(H) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(CB)(C)(H)

171 172 173 174 175 176 177 178 179 180 181 182 183 184 401 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207

3-6 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Oxygen-Containing Compounds

Group Number

C-(O)(CD)(H)2 C-(O)(C)3 C-(O)(C)2(H) C-(O)(C)(H)2 C-(O)(H)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)

Strain and Ring Corrections for OxygenContaining Compounds

208 209 210 211 212 403 404

Ether Oxygen, Gauche Ditertiary Ethers Ethylene Oxide Trimethylene Oxide Tetrahydrofuran Tetrahydropyran 1,3-Dioxane 1,4-Dioxane 1,3,5-Trioxane Furan Dihydropyran Cyclopentanone Cyclohexanone Succinic Anhydride Glutaric Anhydride Maleic Anhydride
Nitrogen-Containing Compounds

213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) NI-(H) 9

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-7

Functional Group Nitrogen-Containing Compounds

Group Number

NI-(C) NI-(CB) NA-(H) 10 NA-(C) N-CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(H) CB-(N) NA-(N) CO-(N)(H) CO-(N)(C) N-(CO)(H)2 N-(CO)(C)(H) N-(CO)(C)2 N-(CO)(CB)(H) N-(CO)2(H) N-(CO)2(C) N-(CO)2(CB) C-(CN)(C)(H)2 C-(CN)(C)2(H) C-(CN)(C)3 C-(CN)2(C)2 CD-(CN)(H) CD-(CN)(C) CD-(CN)2 CD-(NO2)(H) CB-(CN) CT-(CN) C-(NO2)(C)(H)2 C-(NO2)(C)2(H) C-(NO2)(C)3 C-(NO2)2(C)(H) O-(NO)(C) O-(NO2)(C)

241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275

3-8 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Ring Corrections for Nitrogen-Containing Compounds

Group Number

Ethyleneimine Azetidine Pyrrolidine Piperidine Succinimide

Halogen Groups

276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311

C-(F)3(C) C-(F)2(H)(C) C-(F)(H)2(C) C-(F)2(C)2 C-(F)(H)(C)2 C-(F)(C)3 C-(F)2(CL)(C) C-(CL(3(C) C-(CL)2(H)(C) C-(CL)(H)2(C) C-(CL)2(C)2 C-(CL)(H)(C)2 C-(CL)(C)3 C-(BR)3(C) C-(BR)(H)2(C) C-(BR)(H)(C)2 C-(BR)(C)3 C-(I)(H)2(C) C-(I)(H)(C)2 C-(I)(C)(CD)(H) C-(I)(CD)(H)2 C-(I)(C)3 C-(CL)(BR)(H)(C) N-(F)2(C) C-(CL)(C)(O)(H) C-(I)2(C)(H) C-(I)(O)(H)2 CD-(F)2 CD-(CL)2 CD-(BR)2 CD-(F)(CL)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-9

Functional Group Halogen Groups

Group Number

CD-(F)(BR) CD-(CL)(BR) CD-(F)(H) CD-(CL)(H) CD-(BR)(H) CD-(I)(H) CD-(C)(CL) CD-(C)(I) CD-(CD)(CL) CD-(CD)(I) CT-(CL) CT-(BR) CT-(I) CB-(F) CB-(CL) CB-(BR) CB-(I) C-(CB)(F)3 C-(CB)(BR)(H)2 C-(CB)(I)(H)2 C-(CL)2(CO)(H) C-(CL)3(CO) CO-(CL)(C)
Corrections for Next-Nearest-Neighbor Halogen Compounds

312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334

Ortho (F)(F) Ortho (CL)(CL) Ortho (alkane)(halogen) 11 Cis (halogen)(halogen) 11 Cis (alkane)(halogen) 11
Organosulfur Groups

335 336 337 338 339 340 341 342 343 344 345 346

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) C-(CB)(H)2(S) C-(CD)(H)2(S) CB-(S)

3-10 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Organosulfur Groups

Group Number

CD-(H)(S) CD-(C)(S) S-(C)(H) S-(CB)(H) S-(C)2 S-(C)(CD) S-(CD)2 S-(CB)(C) S-(CB)2 S-(S)(C) S-(S)(CB) S-(S)2 C-(SO)(H)3 C-(C)(SO)(H)2 C-(C)3(SO) C-(CD)(SO)(H)2 CB-(SO) SO-(C)2 SO-(CB)2 C-(SO2)(H)3 C-(C)(SO2)(H)2 C-(C)2(SO2)(H) C-(C)3(SO2) C-(CD)(SO2)(H)2 C-(CB)(SO2)(H)2 CB-(SO2) CD-(H)(SO2) CD-(C)(SO2) SO2-(CD)(CB) SO2-(CD)2 SO2-(C)2 SO2-(C)(CB) SO2-(CB)2 SO2-(SO2)(CB) CO-(S)(C) S-(H)(CO) C-(S)(F)3 CS-(N)2

347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-11

Functional Group Organosulfur Groups

Group Number

N-(CS)(H)2 S-(S)(N) N-(S)(C)2 SO-(N)2 N-(SO)(C)2 SO2-(N)2 N-(SO2)(C)2

Ring Corrections for Sulfur-Containing Compounds

385 386 387 388 389 390 391

Thiirane Trimethylene Sulfide Tetrahydrothiophene Thiacyclohexane Thiacycloheptane 3-Thiocyclopentene 2-Thiocyclopentene Thiophene

Symmetry and Optical Isomers 12 Corrections

392 393 394 395 396 397 398 399

Symmetry Optical Isomers

Other

405 406 400 401 402 403 404 407 408 409 410 411 412 413 414 415 416

Ortho or Para Substitution on Pyridine O-(CD)(H) C-(CT)(C)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)

Silicon Groups

SI-(C)(H)3 SI-(C)2(H)2 SI-(C)3(H) SI-(C)4 SI-(SI)(H)3 SI-(SI)2(H)2 SI-(SI)2(C)2 SI-(SI)(C)3 SI-(SI)4 C-(SI)(C)(H)2
3-12 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Silicon Groups

Group Number

C-(SI)(C)2(H) C-(SI)(H)3 SI-(C)(CL)3 SI-(C)2(CL)2 SI-(C)3(CL) SI-(C)(F)3 SI-(C)3(BR) SI-(C)3(I) SI-(C)(H)(CL)2 SI-(C)2(H)(CL) SI-(O)(F)3 SI-(O)3(CL) SI-(SI)(F)3 SI-(SI)2(F)2 SI-(SI)(CL)3 SI-(SI)(O)3 SI-(O)3(H) SI-(C)(O)3 SI-(C)2(O)2 SI-(C)3(O) SI-(O)4 O-(SI)(O) O-(SI)2 O-(SI)(C) O-(SI)(H) SI-(SI)(C)(O)2 C-(SI)(O)(H)2 SI-(CB)4 SI-(CB)2(CL)2 SI-(CB)(O)3 SI-(CB)2(C)(H) CB-(SI) O-(SI)(CB)
Boron Groups

417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453

B-(C)3 C-(B)(C)(H)2 C-(B)(C)2(H) C-(B)(H)3

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-13

Functional Group Boron Groups

Group Number

B-(CB)3 CB-(B) B-(O)3 B-(O)2(H) B-(O)(H)2 B-(B)(O)2 O-(B)(C) O-(B)(H) O-(B)(CB) O-(B)(O) B-(C)2(O) B-(CB)(O)2 B-(S)3 S-(B)(C) S-(B)(CB) B-(N)3 B-(C)2(N) B-(C)(N)(O) N-(B)(C)2 N-(B)(C)(H) B-(O)(F)2 B-(O)2(F) B-(B)(F)2 B-(C)(F)2 B-(N)2(CL) B-(N)(CL)2 B-(B)(CL)2 B-(O)2(CL) B-(O)(CL)2 B-(C)2(CL) B-(CB)2(CL) B-(CB)(CL)2 B-(C)2(BR) B-(CB)2(BR) B-(CB)(BR)2 B-(C)2(I)

454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489

3-14 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Aluminum Groups

Group Number

AL-(C)3 C-(AL)(C)(H)2 AL-(C)2(H) C-(AL)(H)3 AL-(AL)(CL)2

Silicon in Ring Correction

490 491 492 494 495 496 497

SI (ring-4) SI (ring-5)

Table 3.2A BensonR8 Method Functional Groups

Functional Group Hydrocarbon Groups

Group Number

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 402

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-15

Functional Group Hydrocarbon Groups

Group Number

C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)2(C)(H) C-(CB)2(C)2 C-(CB)(CD)(H)2 CT-(H) 5 CT-(C) CT-(CD) CT-(CB) CB-(H) 6 CB-(C) CB-(CD) CB-(CT) CB-(CB) CA 7 CBF-(CB)2(CBF) CBF-(CB)(CBF)2 CBF-(CBF)3 Alkane Gauche Alkene Gauche Cis Ortho

125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160

Next-Nearest-Neighbor Correction

Corrections for Ring Compounds

Cyclopropane Cyclopropene Cyclobutane Cyclobutene Cyclopentane Cyclopentene Cyclopentadiene Cyclohexane Cyclohexene Cycloheptane Cyclooctane Naphthalene

3-16 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Oxygen-Containing Compounds

Group Number

CO-(CO)(H) CO-(CO)(C) CO-(O)(CD) CO-(O)(CB) CO-(O)(C) CO-(O)(H) CO-(CD)(H) CO-(CB)2 CO-(CB)(C) CO-(CB)(H) CO-(C)2 CO-(C)(H) CO-(H)2 O-(CB)(CO) O-(CO)2 O-(CO)(O) O-(CO)(CD) O-(CO)(C) O-(CO)(H) O-(O)(C) O-(O)2 O-(O)(H) O-(CD)2 O-(CD)(C) O-(CD)(H) O-(CB)2 O-(CB)(C) O-(CB)(H) O-(C)2 O-(C)(H) CD-(CO)(O) CD-(CO)(C) CD-(CO)(H) CD-(O)(CD) CD-(O)(C) CD-(O)(H) CB-(CO) CB-(O)

161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 401 185 186 187 188 189 190 191 192 193 194 195 196 197

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-17

Functional Group Oxygen-Containing Compounds

Group Number

C-(CO)2(H)2 C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2 C-(O)2(C)(H) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(CB)(C)(H) C-(O)(CD)(H)2 C-(O)(C)3 C-(O)(C)2(H) C-(O)(C)(H)2 C-(O)(H)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)
Strain and Ring Corrections for OxygenContaining Compounds

198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 403 404

213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228

3-18 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Nitrogen-Containing Compounds

Group Number

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) NI-(H) 9 NI-(C) NI-(CB) NA-(H) 10 NA-(C) N-CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(H) CB-(N) NA-(N) CO-(N)(H) CO-(N)(C) N-(CO)(H)2 N-(CO)(C)(H) N-(CO)(C)2 N-(CO)(CB)(H) N-(CO)2(H) N-(CO)2(C) N-(CO)2(CB) C-(CN)(C)(H)2 C-(CN)(C)2(H) C-(CN)(C)3 C-(CN)2(C)2 CD-(CN)(H) CD-(CN)(C) CD-(CN)2

229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-19

Functional Group Nitrogen-Containing Compounds

Group Number

CD-(NO2)(H) CB-(CN) CT-(CN) C-(NO2)(C)(H)2 C-(NO2)(C)2(H) C-(NO2)(C)3 C-(NO2)2(C)(H) O-(NO)(C) O-(NO2)(C)

Ring Corrections for Nitrogen-Containing Compounds

267 268 269 270 271 272 273 274 275

Ethyleneimine Azetidine Pyrrolidine Piperidine Succinimide

Halogen Groups

276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301

3-20 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Halogen Groups

Group Number

C-(I)(C)3 C-(CL)(BR)(H)(C) N-(F)2(C) C-(CL)(C)(O)(H) C-(I)2(C)(H) C-(I)(O)(H)2 CD-(F)2 CD-(CL)2 CD-(BR)2 CD-(F)(CL) CD-(F)(BR) CD-(CL)(BR) CD-(F)(H) CD-(CL)(H) CD-(BR)(H) CD-(I)(H) CD-(C)(CL) CD-(C)(I) CD-(CD)(CL) CD-(CD)(I) CT-(CL) CT-(BR) CT-(I) CB-(F) CB-(CL) CB-(BR) CB-(I) C-(CB)(F)3 C-(CB)(BR)(H)2 C-(CB)(I)(H)2 C-(CL)2(CO)(H) C-(CL)3(CO) CO-(CL)(C)

302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-21

Functional Group Corrections for Next-Nearest-Neighbor Halogen Compounds

Group Number

Ortho (F)(F) Ortho (CL)(CL) Ortho (alkane)(halogen) 11 Cis (halogen)(halogen) 11 Cis (alkane)(halogen) 11
Organosulfur Groups

335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) C-(CB)(H)2(S) C-(CD)(H)2(S) CB-(S) CD-(H)(S) CD-(C)(S) S-(C)(H) S-(CB)(H) S-(C)2 S-(C)(CD) S-(CD)2 S-(CB)(C) S-(CB)2 S-(S)(C) S-(S)(CB) S-(S)2 C-(SO)(H)3 C-(C)(SO)(H)2 C-(C)3(SO) C-(CD)(SO)(H)2 CB-(SO) SO-(C)2 SO-(CB)2 C-(SO2)(H)3 C-(C)(SO2)(H)2 C-(C)2(SO2)(H) C-(C)3(SO2) C-(CD)(SO2)(H)2

3-22 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Organosulfur Groups

Group Number

C-(CB)(SO2)(H)2 CB-(SO2) CD-(H)(SO2) CD-(C)(SO2) SO2-(CD)(CB) SO2-(CD)2 SO2-(C)2 SO2-(C)(CB) SO2-(CB)2 SO2-(SO2)(CB) CO-(S)(C) S-(H)(CO) C-(S)(F)3 CS-(N)2 N-(CS)(H)2 S-(S)(N) N-(S)(C)2 SO-(N)2 N-(SO)(C)2 SO2-(N)2 N-(SO2)(C)2
Ring Corrections for Sulfur-Containing Compounds

371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391

Thiirane Trimethylene Sulfide Tetrahydrothiophene Thiacyclohexane Thiacycloheptane 3-Thiocyclopentene 2-Thiocyclopentene Thiophene

Symmetry and Optical Isomers 12 Corrections

392 393 394 395 396 397 398 399

Symmetry Optical Isomers

405 406

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-23

Functional Group Other

Group Number

Ortho or Para Substitution on Pyridine O-(CD)(H) C-(CT)(C)3 C-(O)(CT)(H)2 C-(O)(C)2(CT) SYMMETRY OPTICAL-ISOMER

400 401 402 403 404 405 406

Table 3.3 Bondi Method Functional Groups

Functional Group Carbon Increments

Group Number

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= (allene) CH C-C (diacetylene) =CH- (aromatic) =C<(aromatic, aliphatic) =C<(aromatic) Naphthyl
Nitrogen Increments

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124

-NH2 >NH >N=N-CN -NO2

Oxygen Increments

-O- (aliphatic) -O- (aromatic) -OH >C=O

3-24 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Oxygen Increments

Group Number

O=CH- (aldehyde) -COO- (ester)

Sulfur Increments

Functional Group Corrections for Next-Nearest-Neighbor of Oxygen-Containing Groups Containing Groups

Group Number

O-(C)2 (noring structure -C-O-C-O-C-) 417 O-(C)2 (nonring structure -C-O-C-C-O-C-) 418 1,3-DIOXANE (6-member ring) 419 1,4-DIOXANE (6-member ring) 420 NC1 (number of primary carbons of alpha 422 carbons for group 421) NC2 (number of secondary carbons of alpha 423 carbons for group 421) NC3 (number of third carbons of alpha carbons 424 for group 431) NC4 (number of fourth carbons of alpha carbons 425 for group 421) NCALPHA(>CH-) (number of alpha carbons 426 with three-way branch for groups 421) NCALPHA(>C<) (number of alpha carbons 427 with three-way branch for groups 421) O-(C)2 (ring structure -C-O-C-O-C-) 446 O-(C)2 (ring structure -C-O-C-C-O-C-) 447 NCT (total number of carbons in compound for 448 groups 404,417,418) NCT (total number of carbons in compound for 449 group 405) O-(C)(H) (secondary) 450
Nitrogen-Containing Compounds

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 C-(CN)(C)(H)2 C-(CN)(C)2(H) C-(CN)(C)3 N-(C)3 N-(C)2(H) N-(C)(H)2

229 230 231 232 506 507 508 428 429 432

3-28 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Corrections for Next-Nearest-Neighbor of Nitrogen-Containing Groups

Group Number

NCALPHA(>CH-) (number of alpha carbons with three-way branch for groups 428, 429) NCALPHA(>C<) (number of alpha carbons with four-way branch for groups 428, 429) NC1 (number of primary carbons of alpha carbons for group 429) NC2 (number of seconadry carbons of alpha carbons for group 429) NC1 (number of primary carbons of alpha carbons for group 428) NC2 (number of primary carbons of alpha carbons for group 428) N-(C)(H)2 (primary) N-(C)(H)2 (secondary)
Organosulfur Groups

430 431 434 435 437 438 433 436 340 341 342 343 342 343 349 411 439

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) C-(C)2(H)(S) C-(C)3(S) S-(C)(H) S-(C)2 S-(S)(C)

Corrections for Next-Nearest-Neighbor of Organosulfur Groups

NC1 (number of primary carbons of alpha carbons for group 411) NC2 (number of secondary carbons of alpha carbons for group 411) NC3 (number of third carbons of alpha carbons for group 411) NCALPHA(>CH-) (number of alpha carbons with three-way branch for group 411) NCALPHA(>C<) (number of alpha carbons with four-way branch for group 411) NC1 (number of primary carbons of alpha carbon for group 439) NC2 (number of secondary carbons of alpha carbon for group 439)

412 413 414 415 416 440 441

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-29

Functional Group Corrections for Next-Nearest-Neighbor of Organosulfur Groups

Group Number

NC3 (number of primary carbons of alpha carbon for group 439) NCALPHA(>CH-) (number of alpha carbons with three-way branch for group 439) NCALPHA(>C<) (number of alpha carbons with four-way branch for group 439)
Halogen Compounds

442 451 452

C-(C)(BR)(H)2 C-(C)2(BR)(H) C-(C)3(BR) C-(C)(CL)(H)2 C-(C)2(CL)(H) C-(C)3(CL)

Silicon Groups

500 501 502 503 504 505 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624

SI-(C)(H)3 SI-(C)2(H)2 SI-(C)3(H) SI-(C)4 SI-(SI)(H)3 SI-(SI)2(H)2 SI-(SI)2(C)2 SI-(SI)(C)3 SI-(SI)4 C-(SI)(C)(H)2 C-(SI)(C)2(H) C-(SI)(H)3 SI-(C)(CL)3 SI-(C)2(CL)2 SI-(C)3(CL) SI-(C)(F)3 SI-(C)3(BR) SI-(C)(H)(CL)2 SI-(C)2(H)(CL) SI-(O)3(CL) SI-(SI)(F)3 SI-(SI)2(F)2 SI-(SI)(CL)3 SI-(C)(O)3
3-30 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Silicon Groups

Group Number

SI-(C)2(O)2 SI-(C)3(O) SI-(O)4 O-(SI)2 O-(SI)(C) O-(SI)(H) CB-(SI) C-(SI)2(H)2 SI-(CB)2(CL)2

Corrections for Silicon Ring

625 626 627 628 629 630 631 632 633 443 444 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 671 672 673 674 675

SI (4-member) SI (5-member)
Boron Groups

B-(B)(N)2 B-(B)(O)2 B-(B)(CL)2 B-(B)(C)2 B-(N)3 B-(N)2(F) B-(N)2(CL) B-(N)2(H) B-(N)(CL)2 B-(N)(C)2 B-(O)3 B-(O)2(CL) B-(O)2(C) B-(O)(CL)2 B-(O)(N)(C) B-(O)(C)2 B-(S)3 B-(CB)(CL)2 B-(CB)(BR)2 B-(CB)2(CL) B-(C)(CL)2 B-(C)2(CL) B-(C)(BR)2 B-(C)2(BR) B-(C)2(I)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-31

Functional Group Boron Groups

Group Number

B-(C)3 N-(B)(C)(H) N-(B)(C)2 O-(B)(H) O-(B)(C) S-(B)(C) CB-(B) CD-(B)(H) C-(B)(H)3 C-(B)(C)(H)2 C-(B)(C)2(H)
Aluminum Groups

676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706

AL-(C)2(O) AL-(C)2(CL) AL-(C)2H AL-(C)3 O-(AL)(C) C-(AL)(H)3 C-(AL)(C)(H)2

Gallium Groups

GA-(C)3 C-(H)3(GA) C-(C)(H)2(GA)

Cadmium Groups

Cd-(C)2 C-(H)3(Cd) C-(C)(H)2(Cd)

Zinc Groups

ZN-(C)2 C-(H)3(ZN) C-(C)(H)2(ZN)

Mercury Groups

HG-(C)2 C-(H)3(HG) C-(C)(H)2(HG) C-(C)2(H)(HG)

3-32 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Germanium Groups

Group Number

GE-(C)3(GE) GE-(N)(C)3 GE-(O)(C)3 GE-(C)4 O-(GE)2 N-(C)2(GE) C-(H)3(GE) C-(C)(H)2(GE)

Tin Groups

707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738

SN-(C)3(SN) SN-(C)3(N) SN-(C)3(O) SN-(C)(CL)3 SN-(C)2(CL)2 SN-(C)3(CL) SN-(C)3(BR) SN-(C)3(I) SN-(C)3(CB) SN-(C)3(CD) SN-(CD)4 SN-(C)4 N-(SN)(C)2 O-(SN)2 CB-(SN) CD-(H)(SN) C-(CB)(H)2(SN) C-(H)3(SN) C-(C)(H)2(SN) C-(C)2(H)(SN) C-(C)3(SN)
Lead Groups

PB-(C)4 C-(H)3(PB) C-(C)(H)2(PB)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-33

Functional Group Phosphorus Groups

Group Number

P-(C)3 C-(H)3(P) C-(C)(H)2(P)

Arsenic Groups

739 740 741 742 743 744 745 746 747 748 749 750

AS-(C)3 C-(H)3(AS) C-(C)(H)2(AS)

Antimony Groups

SB-(C)3 C-(H)3(SB) C-(C)(H)2(SB)

Bismuth Groups

BI-(C)3 C-(H)3(BI) C-(C)(H)2(BI)

Table 3.4 Fedors Method Functional Groups

Functional Group Carbon Increments

Group Number

-CH3 >CH2 >CH 14 >C< =CH2 =CH=C< =C= CH COxygen Increments

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116

COOH (acid) -CO-O-CO- (anhydride) -COO- (ester) -O-OC-CO-O- (oxalate) >C=O -O-O- (aromatic)

3-34 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Oxygen Increments

Group Number

-OH (alcohols) -OH (aromatic) O=CH- (aldehyde)

Nitrogen Increments

117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148

-NH2 -NH2 (aromatic) >NH >NH (aromatic) >N>N- (aromatic) -N= -CN -CN (aromatic)
Sulfur Increments

-SH -S-S-SHalogen Increments

-F 15 -F (disubstituted) -F (trisubstituted) -F (aromatic) -F (perfluoro) -CL -CL (disubstituted) -CL (trisubstituted) -BR -I -I (aromatic)
Corrections for Ring Compounds

3-Member 4-Member 5-Member 6-Member Heteroatom in the ring Substitution on carbon in a double bond (nonaromatic)

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-35

Functional Group Corrections for Ring Compounds

Group Number

Orthosubstitution in a benzene ring Ring-Ring attached

Other corrections

149 150 151 152 153 154 155 156

Conjugation, per double bond

Other Increments

Adjacent pairs of >CH-F (C=C)

2010 2005 2000 2055 2050 2100 2200 2550 2600 2800 2850 2960 2955 2950 3505 3515 3520 3535 2400 3650 3655 3660 3755 3760
Group Number

-CH2-SH CH3S-CH2S>CHS-C4H3S >C4H2S

Second-Order Groups Corrections

Functional Group Nonring Corrections

(CH3)2CH(CH3)3C-CH(CH3)CH(CH3)-CH(CH3)C(CH3)< -C(CH3)2C(CH3)2CH3CH3 >C=C-C=C< -CH=C-C=C< CH2=C-C=C

5000 5005 5010 5015 5020 5050 5090 5095 5100

3-38 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Nonring Corrections

Group Number

C=CH-C=C CH=CH-C=C CH2=CH-C=C CH=C-C=CH CH=C-C=CH2 CH2=C-C=CH2 CH2=CH-C=CH2 CH2=CH-C=CH CH2=CH-CH=CH2 CH3-C=C CH3-CH=C CH3-CH=CH CH3-CH=CH2 CH3-C=CH CH3-C=CH2 CH2-C=C CH2-CH=C CH2-CH=CH CH2-CH=CH2 CH2-C=CH CH2-C=CH2 CH-C=C CH-CH=C CH-CH=CH CH-CH=CH2 CH-C=CH CH-C=CH2 C-C=C C-CH=C C-C=CH C-C=CH2 C-CH=CH C-CH=CH2 c-C-CMH2:(M>1)

5105 5110 5115 5120 5125 5130 5135 5140 5145 5150 5155 5160 5165 5170 5175 5180 5185 5190 5195 5200 5205 5210 5215 5220 5225 5230 5235 5240 5245 5250 5255 5260 5265 5310

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-39

Functional Group Ring Corrections

Group Number

3-Member 4-Member 5-Member 6-Member 7-Member

Oxygen Corrections

5025 5030 5035 5040 5045 5055 5060 5065 5070 5075 5080 5085 5270 5275 5280 5285 5290 5295 5300 5305 5315 5320 5325 5330 5335 5340 5345 5350 5355 5360 5365 5370 5490 5495 5500 5505 5510

CHCHO CCHO CH3COCH2 CH3COCH CH3COC c-C=O ACCHO (benzene ring) CHCOOH CCOOH ACCOOH (benzene ring) CH3COOCH CH3COOC<COCH2COOCOCHCOO COCCOO CO-O-CO ACCOO (benzene ring) CHOH COH C(OH)C(OH) CH(OH)C(OH) CH2(OH)C(OH) CH(OH)CH(OH) CH2(OH)CH(OH) CH2(OH)CH2(OH) c-COH c-CHOH C-O-C=C CH-O-C=C CH2-O-C=C C-O-CH=C C-O-C=CH

3-40 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Oxygen Corrections

Group Number

C-O-C=CH2 CH-O-CH=CH CH-O-CH=CH2 CH-O-C=CH CH-O-C=CH2 CH2-O-C=C CH2-O-CH=C CH2-O-CH=CH CH2-O-CH=CH2 AC-O-C (benzene ring) AC-O-CH (benzene ring) AC-O-CH2 (benzene ring) AC-O-CH3 (benzene ring)
Nitrogen Corrections

5515 5520 5525 5530 5535 5440 5545 5550 5555 5560 5565 5570 5575 5375 5380 5385 5390 5395 5400 5405 5410 5415 5420 5425 5430 5435 5440 5445 5450 5455 5460 5465 5470 5475 5480 5485 5705

C(OH)CN CH(OH)-CN CH(OH)-CNH CH2(OH)-CN CH(OH)-CNH CH(OH)-CNH2 CH2(OH)-CNH CH2(OH)-CHNH2 CH(OH)-CHNH CH(OH)-CH2NH2 CH2(OH)-CHNH CH2(OH)-CH2NH2 C(NH2)-C(NH2) CH(NH2)-C(NH2) CH2(NH2)-C(NH2) CH(NH2)-CH(NH2) CH(NH2)-CH2(NH2) CH2(NH2)-CH2(NH2 c-C-N-c-C c-CH-N-c-C c-CH-N-c-CH c-CH-NH-c-C c-CH-NH-c-CH C(NH2)-COOH

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-41

Functional Group Nitrogen Corrections

Group Number

CH(NH2)-COOH CH2(NH2)-COOH
Sulfur Corrections

5710 5715 5580 5585 5590 5595 5600 5605 5610 5615 5620 5625 5630 5635 5640 5645 5650 5655 5660 5665 5670 5675 5680 5685 5690 5695 5700

c-C-S-c-C c-CH-S-c-C c-CH2-S-c-C c-CH2-S-c-CH c-CH2-S-c-CH2

Halogen Corrections

C=CF CH=CF CH2=CF C=CHF CH=CHF CH2=CHF C=CBr CH=CBr CH2=CBr C=CHBr CH=CHBr CH2=CHBr C=CI CH=CI CH2=CI C=CHI CH=CHI CH2=CHI ACBr (benzene ring) ACI (benzene ring)

Table 3.5 Joback Method Functional Groups

Functional Group Nonring Increments

Group Number

CH3 >CH2 >CH>C< =CH2

100 101 102 103 104

3-42 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Nonring Increments

Group Number

=CH=C< =C= CH CRing Increments

105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137

>CH2 >CH>C< =CH=C<

Halogen Increments

-F-CL -BR -I
Oxygen Increments

-OH (alcohols) -OH (phenols) -O- (nonring) -O- (ring) >C=O (nonring) >C=O (ring) O=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)
Nitrogen Increments

-NH2 >NH (nonring >NH (ring) >N- (nonring) -CN -NO2 -N= (nonring) -N= (ring) =NH

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-43

Functional Group Sulfur Increments

Group Number

-SH -S- (nonring) -S- (ring)

138 139 140

Table 3.6 Le Bas Method Functional Groups

Functional Group

Functional Group Nonring Increments

Group Number

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= CH C-

100 101 102 103 104 105 106 107 108 109

3-48 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Ring Increments

Group Number

>CH2 >CH>CH 17 >C< =CH=C< =C=

Halogen Increments
-

110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141

F-CL -BR -I OH (alcohols) -OH (phenols) -O- (nonring) -O- (ring) >C=O (nonring) >C=O (ring) O=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)

Oxygen Increments
-

Nitrogen Increments

-NH2 >NH (nonring) >NH (ring) >N- (nonring) >N- (ring) -CN -NO2
Sulfur Increments

-SH -S- (nonring) -S- (ring) =S

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-49

Functional Group Other Increments

Group Number

>SI< 18 >B- 19 >SIH>SIH3 -SI-O-SI-O- (ring)

142 143 144 145 146 147

Table 3.7A Mostafa Method Functional Groups

Cations

Cations

Group Number

Th+2 Er+2 CH2+2

Anions

1286 1287 1727

Group Number

As-3 Br-1 C-4 Cl-1 F-1 I-1 N-3 O-1 O-2 P-3 Re-1 S-2 Sb-3 Se-2 Te-2 H-1 Si-4 BrO3-1 BrO4-1 CO3-2 HCO3-1 ClO2-1 ClO3-1 ClO4-1 IO3-1 IO4-1 IO6-5 NO2-1 NO3-1 OH-1 PO2-1 PO3-1 PO4-3 PO3-3 P2O7-4

1301 1303 1304 1305 1309 1311 1315 1317 1318 1319 1321 1323 1324 1325 1327 1330 1334 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1617 1616 1618
Group Contribution Method Functional Groups 3-55

Physical Property Data 11.1

Anions

Group Number

H2PO2-1 SO3-2 SO4-2 S2O3-2 S2O8-2 S2O7-2 S2O6-2 S2O5-2 S2O4-2 S3O6-2 S4O6-2 N2O2-2 S5O6-2 N2O3-2 HOCHOHCOO-1 NH2CH2COO-1 CONH2COO-1 C2H3O2N2-1 ClCHCHCl-2 CH2OHCOO-1 CCl3COO-1 OCH2COO-2 OCH2CH2-2

1619 1627 1628 1629 1633 1634 1635 1636 1637 1638 1639 1641 1640 1642 1701 1702 1703 1704 1705 1706 1707 1708 1709

Table 3.8 OgataTsuchida Method Functional Groups

Functional Group Group Number Radical, R, showing deviations > 5K

RH 20 RCL RBR RI ROH MeOR EtOR ROR PhOR RONO2 RSH RSMe

100 101 102 103 104 105 106 107 108 109 110 111

Me, t-Bu

Me, t-Bu Me Me, Hep

3-56 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Group Number Radical, R, showing deviations > 5K

RSET RSR RNH2 RNHMe RNHEt RNHPr RNMe2 RNO2 HCOR MeCOR EtCOR RCN RCOCL HCOOR MeCOOR EtCOOR PhCOOR RCOOH RCOOMe RCOOEt RCOOPr RCOOPh (RCO)20 CLCH2COOR 20 CL2CHCOOR BRCH2COOR NCCH2COOR CH2=CHCOOR
Radical Type

112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139

Me, Hep

Me Me, Et

Hep

Group Number Radical, R, showing deviations > 5K

METHYL ETHYL N-PROPYL ISOPROPYL N-BUTYL SEC-BUTYL

140 141 142 143 144 145

Group Contribution Method Functional Groups 3-57

Physical Property Data 11.1

Radical Type

Group Number Radical, R, showing deviations > 5K

ISOBUTYL T-BUTYL N-AMYL ISOAMYL T-AMYL NEOPENTYL N-HEXYL ISOHEXYL N-HEPTYL N-OCTYL VINYL ALLYL 2-BUTENYL PHENYL

146 147 148 149 150 151 152 153 154 155 156 157 158 159

Table 3.9 OrrickErbar Method Functional Groups

Functional Group

Group Number

C
Special Corrections

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117

-C(R)3 C(R)4 Double bond (nonaromatic) 5-Member ring 6-Member ring Aromatic ring Ortho substitution Meta substitution Para substitution -CL -BR -I -OH -COO- (ester) -O>C=O -COOH (acid)

3-58 Group Contribution Method Functional Groups

Physical Property Data 11.1

Table 3.10 Parachor Method Functional Groups

Functional Group Carbon Increments

Group Number

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= CH CHalogen Increments

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132

F -CL -BR -I

Oxygen Increments

-OH (alcohol) -OO=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)
Nitrogen and Sulfur Increments

-NH2 >NH >N-CN -NO2 (nitrite) S

Alkyl Groups

CH3-CH(CH3)CH3-CH2-CH(CH3)CH3-CH2CH2-CH(CH3)CH3-CH(CH3)-CH2CH3-CH2-CH(C2H5)CH3-C(CH3)2CH3-CH2-C(CH3)2-

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-59

Functional Group Alkyl Groups

Group Number

CH3CH(CH3)-CH(CH3)CH3CH(CH3)-C(CH3)2C6H5Ketone Groups

133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148

R1-(C=O)-R2 for R1+R2=2 R1-(C=O)-R2 for R1+R2=3 R1-(C=O)-R2 for R1+R2=4 R1-(C=O)-R2 for R1+R2=5 R1-(C=O)-R2 for R1+R2=6 R1-(C=O)-R2 for R1+R2=7 -NO3 (nitrate) -CO(NH2) N (except as above)
Corrections for Ring Compounds

3-Member 4-Member 5-Member 6-Member

Table 3.11 Reichenberg Method Functional Groups

Functional Group Nonring Increments

Group Number

-CH3 >CH2 >CH>C< =CH2 =CH=C< CH CRing Increments

100 101 102 103 104 105 106 107 108 109 110 111 112 113

>CH2 >CH>C< =CH=C<

3-60 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Halogen Increments

Group Number

-F -CL -BR
Oxygen Increments

114 115 116 117 118 119 120 121 122 123 124 125 126 127 128

-OH (alcohols) -O- (nonring) >C=O (nonring) O=CH- (aldehyde) -COOH (acid) -COO- (ester)
Nitrogen Increments

-NH2 >NH (nonring) -N= (ring) -CN

Other Increments

Group Contribution Method Functional Groups 3-63

Functional Group Oxygen-Containing Compounds

Group Number

C-(C)2(O)(H) (ester) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(C)3 (ester,ether) C-(O)(CD)(H)2 C-(O)(C)3 (alcohol) C-(O)(C)2(H) (alcohol) C-(O)(C)(H)2 C-(O)(H)3
Strain and Ring Corrections for OxygenContaining Compounds

204 205 206 207 208 209 210 211 212

Ethylene Oxide Trimethylene Oxide Tetrahydrofuran Tetrahydropyran 1,3-Dioxane Furan Glycols Diphenol
Nitrogen-Containing Compounds

215 216 217 218 219 222 516 517 229 230 231 232 233 234 235 236 237 238 239 241 242 245 246 247 248 249

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) N-(CD)2(H) (ring) NI-(CB) N-(CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(C) CB-(N)

3-64 Group Contribution Method Functional Groups

Physical Property Data 11.1

Functional Group Nitrogen-Containing Compounds

Group Number

C-(CN)(C)(H)2 C-(CN)(C)3 CD-(CN)(H) CB-(CN) C-(NO2)(C)(H)2 O-(NO2)(C) CD-(H)(N) CB-(NO2)

Ring Corrections for Nitrogen-Containing Compounds

260 262 264 268 270 275 348 372

Pyrrole Ethyleneimine Pyrrolidine Piperdine

Halogen Groups

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CHn

C CH CH2 CH3 CH4 c-C 23 c-CH

X X X X X

X X X X

X X X X X

X X X X X X

1000 1005 1010 1015 1020 1025 1030 1035 1050 1055 1060 1065 1070 1075 1100 1105 1150 1155 1160 1200 1210 1220 1250 1300 1350 1400

c-CHn

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

2,2Dimethylpropane 2-Methylpropane Hexane Hexane Methane 1,1 - dimethyl cyclohexane methylcyclohexane

4 CH3, 1 C 3 CH3, 1 CH 2 CH3, 4 CH2 2 CH3, 4 CH2 1 CH4 2 CH3, 5 c-CH2; 1 c-C 1 CH3, 5 c-CH2, 1 cCH 6 c-CH2 4 CH3, 1 C=C

c-CH2 CHm=CHn C=C CH=C CH2=C CH=CH CH2=CH CH2=CH2 AC 24 ACH ACCH ACCH2 ACCH3 OH (P) 25 OH (S) OH (T) CH2CO

ACHn

X X X X X X X X X X X X X X X X X X X X X X X X X X X

ACCHn

CH3OH H2O ACOH CHnCO

cyclohexane 2,3 Dimethylbutene-2 2-Methyl-2-butene 3 CH3, 1 CH=C 2-Methyl-1-butene 2 CH3, 1 CH2, 1 CH2=C 2-Hexene 2 CH3, 2 CH2, 1 CH=CH 1-Hexene 1 CH3, 3 CH2, 1 CH2=CH Ethylene 1 CH2=CH2 Styrene 1 CH2=CH, 5 ACH, 1 AC Benzene 6 ACH Cumene 2 CH3, 5 ACH, 1 ACCH Ethylbenzene 1 CH3, 5 ACH, 1 ACCH2 Toluene 5 ACH, 1 ACCH3 1-Propanol 2 CH3, 1 CH2, 1 OH (P) 2-Propanol 2 CH3, 1 CH, 1 OH (S) tert-Butanol 3 CH3, 1C, 1 OH (T) Methanol 1 CH3OH Water 1 H2O Phenol 5 ACH, 1 ACOH 3-Pentanone 2 CH3, 1 CH2, 1 CH2CO

3-68 Group Contribution Method Functional Groups

Physical Property Data 11.1

Main Group

Group

V-L L-L

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CH3CO CHO CHnCOO CHO CH2COO CH3COO HCOO CHnO FCH2O 26 CHO CH2O CH3O c-CH2O CH2 c-CH2O (CH2)1/2 c-(CH2)1/2 O(CH2)1/2 CHNH2 CH2NH2 CH3NH2 CNH2 NH2 CHNH CH2NH CH3NH CH2N CH3N C5H3N C5H4N C5H5N CH2CN CH3CN HCOOH COOH

X X X X X X X X X

X X X X

1405 1450 1500 1505 1550 1600 1605 1610 1615 1620 1625 1630 1650 1655 1660 1670 1680 1700 1705 1710 1750 1755 1800 1850 1855 1860 1900 1905 1950 1955

2-Butanone Acetaldelhyde Butyl propanoate Butyl acetate Ethyl formate Tetrahydrofuran Diisopropyl ether Diethyl ether Dimethyl ether Tetrahydrofuran 1,3 - dioxane 1,3,5 - trioxane Isopropylamine Propylamine Methylamine tert-butylamine Isopropylamine Diisopropylamine Diethylamine Dimethylamine Triethylamine Trimethylamine Aniline 2,3Dimethylpyridine 3-Methylpyridine Pyridine Propionitrile Acetonitrile Formic acid Acetic acid

X X X X X X X X X X X X X

c-CHnO

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

1 CH3, 1 CH2, 1 CH3CO 1 CH3, 1 CHO 2 CH3, 3 CH2, 1 CH2COO 1 CH3, 3CH2, 1 CH3COO 1 CH3, 1 CH2, 1 HCOO 3 CH2, 1 FCH2O 4 CH3, 1 CH, 1 CHO 2 CH3, 1 CH2, 1 CH2O 1 CH3, 1 CH3O 2 c-CH2, 1 cCH2OCH2 1 c-CH2, 2 cCH2O(CH2)1/2 3 c-(CH2)1/2O(CH2)1/2 2 CH3, 1 CHNH 1 CH3, 1 CH2, 1 CH2NH2 1 CH3NH2 3 CH3, 1 CNH2 2 CH3, 1 CH, 1 NH2 4 CH3, 1 CH, 1 CHNH 2 CH3, 1 CH2, 1 CH2NH 1 CH3, 1 CH3NH 3 CH3, 2 CH2, 1 CH2N 2 CH3, 1 CH3N 5 ACH, 1 ACNH2 2 CH3, 1 C5H3N 1 CH3, 1 C5H4N 1 C5H5N 1 CH3, 1 CH2CN 1 CH3CN 1 HCOOH 1 CH3, 1 COOH

CHnNH2

NH2 CHnNH

ChnN ACNH2 C5HnN

CHnCN CHnOOH

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-69

Main Group

Group

V-L L-L

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CHnCl

CCl CHCl CH2Cl

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X

X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

2000 2005 2010 2050 2055 2060 2100 2105 2150 2200 2250 2255 2260 2300 2350 2400 2405 2450 2500 2550 2600 2650 2655 2660 2700 2750 2800 2850 2900

CHnCl2

CHnCl3

CCl2 CHCl2 CH2Cl2 CCl3 CHCl3 CHNO2 CH2NO2

CCl4 ACCl CHnNO2

CH3NO2 ACNO2 CS2 CHnSH CH2SH CH3SH Furfural (CH2OH)2 (CH2OH)2 I Br CHnC CC CHC CHCH DMSO (CH3)2SO Acrylonitrile Cl(C=C) ACF Dimethyl- DMF-1 formamide (DMF) DMF-2 CFn CF CF2 CF3

2 CH3, 1 CHCl 1 CH3, 2 CH2, 1 CH2Cl 2,2-Dichloropropane 2 CH3, 1 Ccl2 1,1-Dichloroethane 1 CH3, 1 CHCl2 Dichloromethane 1 CH2Cl2 1,1,11 CH3, 1 CCl3 Trichloroethane Chloroform 1 CHCl3 Tetrachloromethane 1 CCl4 Chlorobenzene 5 ACH, 1 ACCl 2-Nitropropane 2 CH3, 1 CHNO2 1-Nitropropane 1 CH3, 1 CH2, 1 CH2NO2 Nitromethane 1 CH3NO2 Nitrobenzene 5 ACH, 1 ACNO2 Carbon-disulfide 1 CS2 Ethanethiol 1 CH3, 1 CH2SH Methanethiol 1 CH3SH Furfural 1 Furfural 1,2-Ethanediol 1 (CH2OH)2 1-Iodoethane 1 CH3, 1 CH2, 1 I 1-Bromoethane 1 CH3, 1 CH2, 1 Br 2-Hexyne 2 CH3, 2 CH2, 1 CC 1-Hexyne 1 CH3, 3 CH2, 1 CHC Acetylene 1 CHCH Dimethyl-Sulfoxide 1 DMSO Acrylonitrile 1 Acrylonitrile Trichloroethylene 1 CH=C, 3 Cl(C=C) Hexafluorobenzene 6 ACF Dimethylformamide 1 DMF-12 CH3, 1 DMF-2 Diethylformamide Perfluormethylcyclohexane Perfluorohexane Perfluorohexane

2-Chloro-2methylpropane 2-Chloropropane 1-Chlorobutane

3 CH3, 1 CCl

X X X X

2905 2950 2955 2960

1 CH3, 5 CH2, 1 CF 2 CF3, 4 CF2 2 CF3, 4 CF2

3-70 Group Contribution Method Functional Groups

Physical Property Data 11.1

Main Group

Group

V-L L-L

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

COO SiH2

COO Si SiH SiH2 SiH3 SiO SiHO SiH2O

X X X X X X X X X X X X X X X X X X X X X X X X

3300 3350 3355 3360 3365 3400 3405 3410 3450 3500 3505 3510 3515 3520 3525 3530 3535 3550 3555 3560 3565 3570 3575 3600

SiO

NMP CClF

NMP CCl3F CCl2F HCCl2F HCClF CClF2 HCClF2 CClF3 CCl2F2

CON

CONH2 CONHCH3 CONHCH2 CON(CH3)2 CONCH3CH2 CON(CH2)2

OCCOH

C2H5O2

Dimethyl oxalate Hexamethyl disiloxane Heptamethyl trisiloxane Diethylsilane Methylsilane Octamethyl cyclotetrasiloxane 1,1,3,3-Tetramethyl disiloxane 1,3Dimethyldisiloxane Nmethylpyrrolidone Trichloro fluoromethane Tetrachloro-1,2difluoroethane Dichloro fluoromethane 1-Chloro-1,2,2,2,tetrafluoroethane 1,2 Dichloro tetrafluoroethane Chloro difluoromethane Chloro trifluoromethane Dichloro difluoromethane Acetamid N-Methylacetamid N-Ethylacetamid N,NDimethylacetamid N,N-Methylethyl acetamid N,NDiethylacetamid 2-Ethoxyethanol

2 CH3, 2 COO 6 CH3, 1 SiO, 1 Si 7 CH3, 2 SiO, 1 SiH 2 CH3, 2 CH2, 1 SiH2 1 CH3, 1 SiH3 8 CH3, 4 SiO 4 CH3, 1 SiHO, 1 SiH 2 CH3, 1 SiH2O, 1 SiH2 1 NMP 1 CCl3F 2 CCl2F 1 HCCl2F 1 CF3, 1HCClF 2 HCClF2 1 HCCl2F 1 CClF3 1 CCl2F2 1 CH3, 1 CONH2 1 CH3, 1 CONHCH3 2 CH3, 1 CONHCH2 1 CH3, 1 CON(CH3)2 2 CH3, 1 CONCH3CH2 3 CH3, 1 CON(CH2)2 1 CH3, 1 CH2, 1 C2H5O2

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-71

Main Group

Group

V-L L-L

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

C2H4O2 CH3S CH2S CHS Morpholine MORPH Thiophene C4H4S C4H3S C4H2S NH3 27 H2 27 N2 27 O2 27 CO 27 CO2 27 H2S 27 AR 27 C2H6 28 C3H6 28 C3H8 28 C4H10 28 NH3 H2 N2 O2 CO CO2 H2S AR C2H6 C3H6 C3H8 C4H10 CH2S

X X X X X X X X

X X X X X X X X X X X X X X X X X X X X

3605 3650 3655 3660 3700 3750 3755 3760 3800 3810 3820 3830 3840 3850 3860 3870 3880 3890 3900 3910

2-Ethoxy-1propanol Dimethylsulfide Diethylsulfide Diisopropylsulfide Morpholine Thiophene 2 - Methylthiophene 2,3 Dimethylthiophene Ammonia Hydrogen Nitrogen Oxygen Carbon monoxide Carbon dioxide Hydrogen sulfide Argon Ethane Propylene Propane n-Butane

2 CH3, 1 CH2, 1 C2H4O2 1 CH3, 1 CH3S 2 CH3, 1 CH2, 1 CH2S 4 CH3, 1 CH, 1 CHS 1 MORPH 1 C4H4S 1 CH3, 1 C4H3S 2 CH3, 1 C4H2S 1 NH3 1 H2 1 N2 1 O2 1 CO 1 CO2 1 H2S 1 AR 1 C2H6 1 C3H6 1 C3H8 1 C4H10

Table 3.13 Special UNIFAC Liquid-Liquid Functional Groups

Main Group Group Number Example Components Example Component Constituent Groups

Group

P1 P2 DEOH TCE MFA TMS

P1 3000 P2 3050 (HOCH2CH2)2O3100 CCL2=CHCL 3150 HCONHCH3 3200 (CH2)4SO2 3250

1-Propanol 1 2-Propanol 1 Diethylene glycol 1 Trichlorethylene 1 Methylformamide 1 Tetramethylene Sulfone 1 (Sulfolane)

P1 P2 HOCH2CH2)2O CCL2=CHCL HCONHCH3 (CH2)4SO2

3-72 Group Contribution Method Functional Groups

Physical Property Data 11.1

Table 3.14 VaporLiquid Systems UNIFAC Group Interaction Parameters

A C C C A C H = C H O 2 C H 2 H C C H A H 3 H C 2 C O 2 O C H H O H O O C H 2 C O O H C O O C H 2 O

From H. K. Hansen, P. Rasmussen, Aa. Fredenslund, M. Schiller, and J. Gmehling, Ind. Eng. Chem. Res.30 (10), (1991), p. 2352.

MAIN GROUP CH2 C=C ACH ACCH2 OH CH3OH H2O ACOH CH2CO CHO CH2COO HCOO CH2O CH2NH2 CH2NH CH2N ACNH2 C5H4N CH2CN COOH CCL CCL2 CCL3 CCL4 ACCL CH2NO2 ACNO2 CS2 CH2SH FURFURAL (CH2OH)2 I BR CH#C DMSO ACRYLONI CL(C=C) ACF DMF CF2 COO SIH2 SIO NMP CCLF CON OCCOH CH4S MORPHOLI THIOPHEN

C H 2 N H 2

C H 2 N H

A C C C C 5 H H N H 2 2 H 4 C N 2 N N

C O O H

C C C C L L 2

C C L 3

C C L 4

A C C L

C H 2 N O 2

A C C H N C 2 O S S 2 2 H

F U R F U R A L

( C H 2 O C H H ) B # 2 I R C

D M S O

A C R Y L O N I

C L ( C = A D C C C M F ) F F 2

S C C I S N C O H I M L O 2 O P F

O C C C O O N H

C H 4 S

M O R P H O L I

T H I O P H E N

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X X - - X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

- X - X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X - - - - - X X X X X X X X X X X X X X X X X X X -

- - - X - X X X X X X X X X X X -

X - X X - - X X X X X X X X -

- X - - - - - X -

- - - - - - -

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-73

Table 3.15 LiquidLiquid Systems UNIFAC Group Interaction Parameters

C H * = C C H H * * A C C H O * H

From T. Magnussen, P. Rasmussen, and Aa. Fredenslund, Ind. Eng. Chem.Process Des. Dev. 20, (1980), pp. 331339.

MAIN GROUP CH* CH*=CH* ACH* ACCH* H H2O ACOH CH*CO CHO CH*COO CH*O ACNH2 C5H*N CH*CN CH*OOH CH*CL CH*CL2 CH*CL3 CCL4 ACCL CH*NO2 ACNO2 FURFURAL (CH2OH)2 DMSO DMF P1 P2 DEOH TCE MFA TMS

A C H *

A H C 2 O O H

C C H H * * C C C H O O O O

C H * O

A C N H 2

C 5 H * N

C H * C N

C H * O O H

C H * C L

C H * C L 2

C H * C L 3

C C L 4

A C C L

C H * N O 2

A C N O 2

F U R F U R A L

( C H 2 O H ) 2

D M S O

D D E T M P P O C F 1 2 H E

M T F M A S

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

- X - - X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X - - - X - - - X X - - - X - X X X - - - - X - - - - X X X X X X X X -

- X X X - - - X X X X X X -

- X - - - - - - - - - - - - - -

X X X - X X X X -

X - - - X - - - -

- - - - - - - - -

3-74 Group Contribution Method Functional Groups

Physical Property Data 11.1

Table 3.16 Group Interaction Parameters for Lyngby Modified UNIFAC

A C C C A C H = C H O 2 C H 2 H

From B. L. Larsen, P. Rasmussen, and Aa. Fredenslund, Ind. Eng. Chem. Res. 26, (1987), p. 2274.

MAIN GROUP CH2 C=C ACH ACCH2 OH CH3OH H2O ACOH CH2CO CHO CH2COO HCOO CH2O CH2NH2 NH2 CH2NH CH2N ACNH2 C5H4N CH2CN COOH CCL CCL2 CCL3 CCL4

C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

H C O O

C H 2 O

C H 2 N N H H 2 2

C H 2 N H

C H 2 N

A C N H 2

C 5 H 4 N

C H 2 C N

C C C O C C C O C L L H L 2 3

C C L 4

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X X X X X - X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X - X - - - X X X X X X X X X X X X

X X X X X X X X X X

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-75

Table 3.17 Group Interaction Parameters for Dortmund Modified UNIFAC Model
A C C C A C H = C H O 2 C H 2 H C C H A H 3 H C 2 C O 2 O C H H O H O O C H 2 C O O H C O O C H 2 O

From J. Gmehling, J. Li, and M. Schiller, Ind. Eng. Chem. Res. 32, (1993), pp. 178-193.

MAIN GROUP CH2 C=C ACH ACCH2 OH CH3OH H2O ACOH CH2CO CHO CH2COO HCOO CH2O CH2NH2 CH2NH CH2N ACNH2 C5H4N CH2CN COOH CCL CCL2 CCL3 CCL4 ACCL CH2NO2 ACNO2 CS2 CH3SH FURFURAL (CH2OH)2 I BR CH#C DMSO ACRY CL(C=C) ACF DMF CF2 COO CY-CH2 CY-CH2O HCOOH CHCL3

C H 2 N H 2

C H 2 N H

C H 2 N

A C N H 2

C 5 H 4 N

C H 2 C N

C O O H

C C C C L L 2

C C L 3

C C L 4

A C C L

C H 2 N O 2

A C C H N C 3 O S S 2 2 H

F U R F U R A L

( C H 2 O C H H ) B # 2 I R C

D M S O

A C R Y

C L ( C = A D C C C M F ) F F 2

C Y C C O H O 2

C Y C H 2 O

H C O O H

C H C L 3

X X X X X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X - - X - - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

- X - X X - - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X - - - - - X X X X X X X X X X X X X X X X X X X -

- X - - X - X X X X X X X X X

X - - - - - X X X X X X X X X X X -

X - X - - - X X -

3-76 Group Contribution Method Functional Groups

Physical Property Data 11.1

Table 3.18 Group Interaction Parameters for UNIFAC Model Revision 3

A C C C A C H = C H O 2 C H 2 H C C H A H 3 H C 2 C O 2 O C H H O H O O C H 2 C O O

From E. A. Macedo, U. Weidlich, J. Gmehling, and P. Rasmussen, Ind. Eng. Chem. Process Des. Dev., 22, (1983), p. 676.

H C O O

C H 2 O

C H 2 N H 2

C H 2 N H

C H 2 N

A C N H 2

C 5 H 4 N

C H 2 C N

C O O H

C C C C L L 2

C C L 3

C C L 4

A C C L

C H 2 N O 2

A C C H N C 2 O S S 2 2 H

F U R F U R A L

( C H 2 O C H H ) B # 2 I R C

D M S O

A C R Y L O N I

C L ( C = A D C C C M F ) F F 2

C O O

X X X X X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X - - X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

- - X X - - X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X X X X X X - - X X X X X X X X X X X X X X X X X X X X X X X X -

X - - - - - - X X X X X X X X -

- - - X X - - X X X X -

- - - - - - X X - - -

X X X X X

X X X X -

X X X - X

- - - X X

- X X X X

- - X - -

- X - - X

Physical Property Data 11.1

Group Contribution Method Functional Groups 3-77

From D. Tiegs, P. Rasmussen, J. Gmehling, and Aa. Fredenslund, Table 3.19 Group Interaction Parameter Ind. Eng. Chem. Res. 26, (1987), p. 159. for UNIFAC Model Revision 4
C H 2 C O O C H 2 N H 2 C H 2 N O 2 F U R F U R A L ( C H 2 O C H H ) B # 2 I R C A C R Y L O N I C L ( C = A D C C C M F ) F F 2

A C C C A C H = C H O 2 C H 2 H

C C H A H 3 H C 2 C O 2 O C H H O H O O

H C O O

C H 2 O

C H 2 N H

C H 2 N

A C N H 2

C 5 H 4 N

C H 2 C N

C O O H

C C C C L L 2

C C L 3

C C L 4

A C C L

A C C H N C 2 O S S 2 2 H

D M S O

S C I S N O H I M O 2 O P

X X X X X X X X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X - - X - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

- - X X - - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X X X X X X X - - X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X -

X - - - - - - X X X X X X X X X X -

- - - X - - X X X X X -

- - - - - X X X -

- X - - -

V L1 L2 L S T

Vapor First liquid phase Second liquid phase Total liquid phase Solid phase Total mixture for mixed substream

Physical Property Data 11.1

Property Sets 4-1

For the property set you can also define: Temperature at which to calculate the property Pressure at which to calculate the property Whether to include or exclude water from the calculation Units for the property Components for which the properties are to be calculated (for pure component properties and properties of components in a mixture) When you use multiple qualifiers, the property is computed for each valid combination of qualifiers. The tables in this chapter describe the properties available in the Aspen Physical Property System. These tables show the phase qualifiers and indicate if the temperature, pressure, and basis qualifiers are applicable. A point () in the tables indicates that you can use the qualifier for that property. The properties listed in a property set are calculated only for the substream specified. Table 4.9 lists properties that can be calculated for all substreams.

4-2 Property Sets

Physical Property Data 11.1

Table 4.1 Mixture Thermodynamic Properties

Volume

PROPNAME Description RHOLSTD RHOMX VLSTDMX VMX VVSTDMX Standard liquid density

PHASE

TEMP PRES BASISUnits MOLE-DENSITY or MASS-DENSITY MOLE-DENSITY or MASS-DENSITY MOLE-VOLUME or VOLUMEFLOW MOLE-VOLUME or VOLUMEFLOW MOLE-VOLUME or VOLUMEFLOW

V L L1 L2 T Density V L L1 L2 ST Standard liquid volume V L L1 L2 T Volume V L L1 L2 ST Standard vapor volume V L L1 L2 T PHASE

Flow Rates, Fractions

PROPNAME Description BETA LFRAC Molar fraction of liquid that is L1 Liquid fraction

TEMP PRES BASISUnits

MASSFLMX Mass flow rate MASSVFRAC Mass vapor fraction MASSSFRAC Mass solid fraction MOLEFLMX Mole flow rate SFRAC VFRAC VOLFLMX Solid fraction Mole vapor fraction Volume flow rate

V L L1 L2 ST

MASS-FLOW

V L L1 L2 ST

MOLE-FLOW

V L L1 L2 ST PHASE V L L1 L2 ST V L L1 L2 ST V V L L1 L2 ST V L L1 L2 V L L1 L2 ST L L1 L2 T

VOLUME-FLOW

Enthalpy, Entropy, Gibbs Energy, Heat Capacity

PROPNAME Description AVAILMX CPCVMX CPIGMX CPMX CSATMX CVMX DGMIX

TEMP PRES BASISUnits MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW

Availability, H-ToS To=298.15 K Heat capacity ratio (CPMX/CVMX) Ideal gas heat capacity Constant pressure heat capacity Specific heat at saturation Constant volume heat capacity Gibbs free energy of mixing

Physical Property Data 11.1

Property Sets 4-3

PROPNAME Description DGMX DHMX DSMX GIGMX GMX GXS

2 1

PHASE V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V V L L1 L2 ST L L1 L2 S V V L L1 L2 ST L L1 L2 S V V L L1 L2 ST PHASE V

TEMP PRES BASISUnits MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTROPY or MASSENTROPY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTROPY or MASSENTROPY MOLE-ENTROPY or MASSENTROPY

Free energy departure Enthalpy departure Entropy departure Ideal gas free energy Free energy Excess free energy
1

HIGMX HMX HXS

Ideal gas enthalpy Enthalpy Excess enthalpy

SIGMX SMX

Ideal gas entropy Entropy

Other Properties

PROPNAME Description ABSHUMID Absolute humidity COMB-O2

TEMP PRES BASISUnits MOLES or MASS

Amount of O2 needed to V L L1 L2 S completely combust a given material MWMX Molecular weight V L L1 L2 ST PBUB Bubble point pressure V L L1 L2 T 3 PCMX Pseudo-critical pressure V L L1 L2 ST PDEW Dew point pressure V L L1 L2 T PH2OTDEW Dew point temperature V for water at the partial pressure of water PRES Pressure PRMX
4

PRESSURE PRESSURE PRESSURE TEMPERATURE

PRESSURE

RAT-MLFR RAT-MSFR

Reduced pressure (based V L L1 L2 on PCMX) ST Ratio of mole fractions V L L1 L2 T Ratio of mass fractions V L L1 L2 T

4-4 Property Sets

Physical Property Data 11.1

PROPNAME Description RAT-VLFR RELHUMID

PHASE

TEMP PRES BASISUnits TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE MOLE-VOLUME

Ratio of liquid volume L L1 L2 T fractions Percent relative humidity V V L L1 L2 T V L L1 L2 T V L L1 L2 T L L1 L2 T

SONVELMX Sonic velocity SUM-MLFR SUM-MSFR SUM-VLFR TBUB TCMX TDEW TEMP TRMX VCMX ZCMX ZMX
4 3 6

Sum of mole fractions Sum of mass fractions

Sum of liquid volume fractions Bubble point temperature V L L1 L2 T Pseudo-critical V L L1 L2 temperature ST Dew point temperature V L L1 L2 T Temperature Reduced temperature (based on TCMX) Pseudo-critical volume Pseudo-critical compressibility factor Compressibility factor

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 S

Table 4.2 Thermodynamic Properties of Components in Mixtures

PROPNAME Description GAMMA GAMPC GAMUS
2 2

PHASE L L1 L2 S L L1 L2 S L L1 L2

TEMP PRES BASISUnits MASS-CONC MASS-FLOW

Activity coefficient Activity coefficient pressure correction Unsymmetrically normalized activity coefficient Liquid-liquid K-value Vapor-liquid K-value Vapor-liquid2 K-value

KLL2 KVL KVL2

MASSCONC Mass concentration MASSFLOW Mass flow rate

V L L1 L2 ST V L L1 L2 ST

Physical Property Data 11.1

Property Sets 4-5

PROPNAME Description MASSFRAC Mass fraction MOLECONC Molar concentration MOLEFLOW Mole flow rate MOLEFRAC Mole fraction PHIMX PPMX SSOLFACT SSOLUB
2

PHASE V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 S V
8

TEMP PRES BASISUnits MOLE-CONC MOLE-FLOW PRESSURE TEMPERATURE MOLE-VOLUME or VOLUMEFLOW MOLE-VOLUME or VOLUMEFLOW

Fugacity coefficient Partial pressure Solubility safety factor

V L L1 L2 V L L1 L2 V L L1 L2 V L L1 L2

Equilibrium solubility of a freeze-out component TFREEZ Freeze-out temperature of a component 9 TFRZMARG Temperature safety margin 10 VLSTD Standard liquid volume VLSTDFR VVSTD VVSTDFR

V L L1 L2 T Standard liquid volume V L L1 L2 fraction T Standard vapor volume V Standard vapor volume fraction V

Table 4.3 Pure Component Thermodynamic Properties

PROPNAME Description AVAIL CP CPCV CPIG CV DG DGPC
1

PHASE V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V V L L1 L2 ST V L L1 L2 S L L1 L2 S

Availability, H-ToS To=298.15 K Constant pressure heat capacity Heat capacity ratio (CP/CV) Ideal gas heat capacity Constant volume heat capacity Free energy departure Free energy departure pressure correction

4-6 Property Sets

Physical Property Data 11.1

PROPNAME Description DH DHVL DHPC DS G GIG H HIG PHI PHIPC PL

12 1 1 11

PHASE

TEMP PRES BASISUnits MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTROPY or MASSENTROPY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW PRESSURE MOLE-DENSITY or MASS-DENSITY MOLE-ENTROPY or MASSENTROPY MOLE-ENTROPY or MASSENTROPY MOLE-VOLUME or VOLUMEFLOW

Enthalpy departure

V L L1 L2 S Enthalpy of vaporization L Enthalpy departure pressure correction Entropy departure Free energy Ideal gas free energy Enthalpy Ideal gas enthalpy Fugacity coefficient L L1 L2 S V L L1 L2 S V L L1 L2 ST V V L L1 L2 ST V V L L1 L2 S L L1 L2 S L V L L1 L2 ST V L L1 L2 ST V V L L1 L2 T V L L1 L2 ST

Fugacity coefficient pressure correction Vapor pressure Density Entropy

RHO S SIG
1

Ideal gas entropy Sonic velocity Volume

SONVEL V

Table 4.4 Electrolyte Properties

PROPNAME Description FAPP FTRUE GXTRUE Apparent component molar flow rate True species molar flow rates Activity coefficient of a true species (mole fraction scale) Activity coefficient of a true species (molality scale) Ionic strength (molality scale) PHASE L L1 L2 S L L1 L2 S L L1 L2 TEMP PRES BASISUnits MOLE-FLOW MOLE-FLOW

GMTRUE

L L1 L2

IONSM

L L1 L2

Physical Property Data 11.1

Property Sets 4-7

PROPNAME Description IONSX MAPP MTRUE OSMOT PH25 PH POH25 POH SOLINDEX Ionic strength (mole fraction scale) Apparent component molality True species molality Osmotic coefficient pH at 25C pH pOH at 25C pOH Solubility index (ratio of activity in mixture to activity at saturation) Apparent component mass flow rate True species mass flow rate Apparent component mass fraction True species mass fraction Apparent component mole fraction True species mole fraction

PHASE

TEMP PRES BASISUnits

L L1 L2 L L1 L2 L L1 L2 L L1 L2 L L1 L2 L L1 L2 L L1 L2 L L1 L2

WAPP WTRUE WXAPP WXTRUE XAPP XTRUE

L L1 L2 S L L1 L2 S L L1 L2 S L L1 L2 S L L1 L2 S L L1 L2 S

MASS-FLOW MASS-FLOW

Table 4.5 Transport Properties

Mixture
2

PROPNAME Description KINVISC KMX MUMX PR RE

PHASE V L L1 L2 V L L1 L2 S V L L1 L2 V L L1 L2 V L L1 L2 L L1 L2 V L L1 L2 S

TEMP PRES BASISUnits DIFFUSIVITY THERMAL-CONDUCTIVITY VISCOSITY LENGTH SURFACE-TENSION DIFFUSIVITY

Kinematic viscosity Thermal conductivity Viscosity Prandtl Number Dimensional Reynolds Number Surface tension Thermal diffusivity
2

SIGMAMX THRMDIFF

Component in a Mixture

PROPNAME Description DMX Diffusion coefficient

PHASE V L L1 L2

TEMP PRES BASISUnits DIFFUSIVITY

4-8 Property Sets

Physical Property Data 11.1

Pure Components

PROPNAME Description K MU SIGMA Thermal conductivity Viscosity Surface tension

PHASE V L L1 L2 V L L1 L2 L L1 L2

TEMP PRES BASISUnits THERMAL-CONDUCTIVITY VISCOSITY SURFACE-TENSION

Table 4.6 PetroleumRelated Properties for Mixtures

PROPNAME Description ANILPT Aniline point PHASE
14

TEMP PRES BASISUnits TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE PRESSURE TEMPERATURE MASS-ENTHALPY MASS-ENTHALPY PRESSURE PRESSURE PRESSURE

V L L1 L2 T API API gravity V L L1 L2 T CHRATIO Carbon to hydrogen ratio V L L1 L2 T FLPT-API Flash point, API method V L L1 L2 T FLPT-PM Flash point, PennskyV L L1 L2 Martens method T FLPT-TAG Flash point, Tag method V L L1 L2 T MABP Mean average boiling V L L1 L2 point T V PHYDRATE Hydrate formation 15 pressure PRPT-API Pour point, API method V L L1 L2 T QVALGRS Gross heating value V L L1 L2 T QVALNET Net heating value V L L1 L2 T REFINDEX Refractive index V L L1 L2 T REIDVP Reid vapor pressure L L1 L2 Reid vapor pressure, API V L L1 L2 method T RVP-P2 Reid vapor pressure, V L L1 L2 ASTM method, PML T implementation SG Specific gravity V L L1 L2 T SGAIR Specific gravity V (ref. AIR at 60F) V THYDRATE Hydrate formation 15 temperature RVP-API

TEMPERATURE

Physical Property Data 11.1

Property Sets 4-9

PROPNAME Description VABP VISINDEX WAT

PHASE

TEMP PRES BASISUnits TEMPERATURE

Volume average boiling V L L1 L2 point T Liquid viscosity index L L1 L2 Watson UOP K-factor V L L1 L2 T PHASE
14

Distillation Curves

PROPNAME Description APICRV API curve

TEMP PRES BASISUnits TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE

V L L1 L2 T APICRVWT API curve as a function V L L1 L2 of weight percent T D2887CRV ASTM D2887 curve as a V L L1 L2 function weight percent T D86CRK ASTM D86 curve with V L L1 L2 cracking correction T 16 ASTM D86 curve V L L1 L2 D86CRV T D86CRVWT ASTM D86 curve as a V L L1 L2 T function of weight percent D86WTCRK ASTM D86 weight curve VLL1 L2T with cracking correction D1160CRV ASTM D1160 curve V L L1 L2 T D1160CVW ASTM D1160 curve as a V L L1 L2 T function of weight percent GRVCRV Gravity curve V L L1 L2 T GRVCRVWT Gravity curve as a V L L1 L2 function of weight T percent MWCRV Molecular weight curve V L L1 L2 T MWCRVWT Molecular weight curve V L L1 L2 as a function of weight T percent 16 TBPCRV True boiling point curve V L L1 L2 T TBPCRVWT True boiling point curve V L L1 L2 as a function of weight T percent 16 Vacuum curve V L L1 L2 VACCRV T VACCRVWT Vacuum curve as a V L L1 L2 function of weight T percent

TEMPERATURE TEMPERATURE TEMPERATURE

TEMPERATURE TEMPERATURE

4-10 Property Sets

Physical Property Data 11.1

Distillation Temperature

PROPNAME Description D2887T D86T

PHASE

TEMP PRES BASISUnits TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE

D86TCK D86TWT D86TWTCK

D1160T

D1160TWT

TBPT

TBPTWT

VACT

VACTWT

ASTM D2887 V L L1 L2 temperature T ASTM D86 temperature V L L1 L2 T ASTM D86 temperature V L L1 L2 with cracking correction T ASTM D86 temperature V L L1 L2 at a given weight percent T ASTM D86 temperature V L L1 L2 with cracking correction T at a given weight percent ASTM D1160 V L L1 L2 temperature T ASTM D1160 V L L1 L2 temperature at a given T weight percent True boiling point V L L1 L2 temperature T True boiling point V L L1 L2 temperature at a given T weight percent Vacuum temperature V L L1 L2 T Vacuum Temperature at V L L1 L2 a given weight percent T PHASE
14

TEMPERATURE TEMPERATURE

Distillation Volume and Weight Percent

PROPNAME Description D2887WT D86LV

TEMP PRES BASISUnits

D86LVCK

D86WT D86WTCK

D1160LV D1160WT TBPLV TBPWT

ASTM D2887 weight V L L1 L2 percent T ASTM D86 liquid V L L1 L2 volume percent T ASTM D86 liquid V L L1 L2 volume percent with T cracking correction ASTM D86 weight V L L1 L2 percent T V L L1 L2 ASTM D86 weight T percent with cracking correction ASTM D1160 liquid V L L1 L2 volume percent T ASTM D1160 weight V L L1 L2 percent T True boiling point liquid V L L1 L2 volume percent T True boiling point weight V L L1 L2 percent T

Physical Property Data 11.1

Property Sets 4-11

PROPNAME Description VACLV VACWT

PHASE

TEMP PRES BASISUnits

Vacuum liquid volume V L L1 L2 percent T Vacuum weight percent V L L1 L2 T PHASE

Flow Rates for Petroleum Cuts

PROPNAME Description CUTS-E

TEMP PRES BASISUnits MOLE-FLOW, MASS-FLOW, or VOLUME-FLOW MOLE-FLOW, MASS-FLOW, or VOLUME-FLOW

CUTS-M

Flow rates for petroleum cuts and light ends in Deg. F Flow rates for petroleum cuts and light ends in Deg. C

V L L1 L2 T V L L1 L2 T

Petroleum Property from ASSAY Analysis

PROPNAME Description ANILPT Aniline point

PHASE

TEMP PRES BASISUnits TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE TEMPERATURE DIFFUSIVITY

AROMATIC Aromatic content ASPHALTE BASIC-N2 BROMINE CARBON Asphaltene content Basic nitrogen Bromine number Carbon content

CETANENO Cetane number CLOUDPT Cloud point

COCARBON Conradson carbon content FLASHPT Flash point FREEZEPT Freeze point

HYDROGEN Hydrogen content IRON Iron content

KNOCKIDX Antiknock index KVISC LUMI-NO Kinematic viscosity Luminometer number

V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T

4-12 Property Sets

Physical Property Data 11.1

PROPNAME Description MERCAPTA Mercaptan content

PHASE

TEMP PRES BASISUnits TEMPERATURE PRESSURE LENGTH VISCOSITY

V L L1 L2 T METAL Metal content V L L1 L2 T MOC-NO Motor octane number V L L1 L2 T NAPHTHENE Naphthene content V L L1 L2 T NICKEL Nickel content V L L1 L2 T OLEFIN Olefin content V L L1 L2 T OXYGEN Oxygen content V L L1 L2 T PARAFFIN Paraffin content V L L1 L2 T POURPT Pour point V L L1 L2 T REFINDEX Refractive index V L L1 L2 T ROC-NO Research octane number V L L1 L2 T RVP Reid vapor press. V L L1 L2 T SMOKEPT Smoke point V L L1 L2 T SULFUR Sulfur content V L L1 L2 T TOTAL-N2 Total nitrogen V L L1 L2 T VANADIUM Vanadium content V L L1 L2 T VISC Viscosity V L L1 L2 T VLOCKIDX Vapor knock index V L L1 L2 T WARMIDX Warm-up index V L L1 L2 T
Petroleum Property Curves

PROPNAME Description ANILCRV Aniline point curve

PHASE

TEMP PRES BASISUnits TEMPERATURE

V L L1 L2 T AROMCRV Aromatic content curve V L L1 L2 T ASPHACRV Asphaltene content curve V L L1 L2 T BAS-NCRV Basic Nitrogen content V L L1 L2

Physical Property Data 11.1

Property Sets 4-13

PROPNAME Description curve BROMICRV Bromine number curve CARBCRV Carbon content curve

CETANCRV Cetane number curve CLOUDCRV Cloud point curve COCARCRV Conradson carbon content curve FLASHCRV Flash point curve FREEZCRV Freeze point curve

PHASE TEMP PRES BASISUnits T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 TEMPERATURE T V L L1 L2 T V L L1 L2 TEMPERATURE T L L1 L2 T TEMPERATURE DIFFUSIVITY TEMPERATURE PRESSURE

HYDROCRV Hydrogen content curve V L L1 L2 T IRONCRV Iron content curve V L L1 L2 T KNOCKCRV Antiknock index curve V L L1 L2 T KVISCCRV Kinematic viscosity V L L1 L2 curve T LUM-NCRV Luminometer number V L L1 L2 curve T MERCCRV Mercaptan content curve V L L1 L2 T METALCRV Metal content curve V L L1 L2 T MOCNCRV Motor octane number V L L1 L2 curve T NAPHCRV Naphthene content curve V L L1 L2 T NICKCRV Nickel content curve V L L1 L2 T OLEFCRV Olefin content curve V L L1 L2 T OXYGEN Oxygen content curve V L L1 L2 T PARACRV Paraffin content curve V L L1 L2 T POURCRV Pour point curve V L L1 L2 T REFICRV Refractive index curve V L L1 L2 T ROCNCRV Research octane number V L L1 L2 curve T RVPCRV Reid vapor pressure V L L1 L2 curve T

4-14 Property Sets

Physical Property Data 11.1

PROPNAME Description SMOKCRV Smoke point curve

PHASE

TEMP PRES BASISUnits LENGTH DIFFUSIVITY

V L L1 L2 T SULFCRV Sulfur content curve V L L1 L2 T TOT-NCRV Total nitrogen content V L L1 L2 curve T UOPKCRV Watson UOP K curve V L L1 L2 T VANACRV Vanadium content curve V L L1 L2 T VISCCRV Viscosity curve V L L1 L2 TV VLOCKCRV Vapor knock index curve V L L1 L2 T WARMICRV Warm-up index curve V L L1 L2 T

Table 4.7 Elemental Analysis of Mixtures

PROPNAME Description MOLEFLC MOLEFLH MOLEFLO MOLEFLN MOLEFLS MOLEFLF MOLEFLCL MOLEFLBR MOLEFLI MOLEFLAR MOLEFLHE MASSFLC MASSFLH MASSFLO MASSFLN MASSFLS MASSFLF MASSFLCL MASSFLBR MASSFLI MASSFLAR MASSFLHE MOLEFRC MOLEFRH MOLEFRO MOLEFRN MOLEFRS MOLEFRF MOLEFRCL MOLEFRBR Mole flow of carbon atoms Mole flow of hydrogen atoms Mole flow of oxygen atoms Mole flow of nitrogen atoms Mole flow of sulfur atoms Mole flow of fluorine atoms Mole flow of chlorine atoms Mole flow of bromine atoms Mole flow of iodine atoms Mole flow of argon atoms Mole flow of helium atoms Mass flow of carbon atoms Mass flow of hydrogen atoms Mass flow of oxygen atoms Mass flow of nitrogen atoms Mass flow of sulfur atoms Mass flow of fluorine atoms Mass flow of chlorine atoms Mass flow of bromine atoms Mass flow of iodine atoms Mass flow of argon atoms Mass flow of helium atoms Mole fraction of carbon atoms Mole fraction of hydrogen atoms Mole fraction of oxygen atoms Mole fraction of nitrogen atoms Mole fraction of sulfur atoms Mole fraction of fluorine atoms Mole fraction of chlorine atoms Mole fraction of bromine atoms PHASE V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T Units MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW

Physical Property Data 11.1

Property Sets 4-15

PROPNAME MOLEFRI MOLEFRAR MOLEFRHE MASSFRC MASSFRH MASSFRO MASSFRN MASSFRS MASSFRF MASSFRCL MASSFRBR MASSFRI MASSFRAR MASSFRHE

Description Mole fraction of iodine atoms Mole fraction of argon atoms Mole fraction of helium atoms Mass fraction of carbon atoms Mass fraction of hydrogen atoms Mass fraction of oxygen atoms Mass fraction of nitrogen atoms Mass fraction of sulfur atoms Mass fraction of fluorine atoms Mass fraction of chlorine atoms Mass fraction of bromine atoms Mass fraction of iodine atoms Mass fraction of argon atoms Mass fraction of helium atoms

PHASE V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T

Units

Table 4.8 Nonconventional Component Properties

PROPNAME Description DENSITY ENTHALPY HEATCAPACITY Density
20

PHASE S S
20

Temperature

Units MASS-DENSITY MASS-ENTHALPY MASS-HEAT-CAPACITY

Enthalpy 20 Heat capacity

Table 4.9 Valid Properties for Substream ALL

PROPNAME Description GMX HMX LFRAC Free energy of mixture Enthalpy of mixture Liquid fraction V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST MASS-CONC MASS-FLOW MASS-FLOW PHASE V L L1 L2 ST V L L1 L2 ST TEMP PRES BASISUnits MOLE-ENTHALPY, MASSENTHALPY, or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY

MASSCONC Mass concentration MASSFLMX Mass flow rate of mixture MASSFLOW Mass flow rate of components in mixture MASSFRAC Mass fraction MASSSFRAC Mass solid fraction MASSVFRAC Mass vapor fraction MOLECONC Molar concentration

V L L1 L2 ST MOLE-CONC

4-16 Property Sets

Physical Property Data 11.1

PROPNAME Description MOLEFLMX Mole flow rate of mixture MOLEFLOW Mole flow rate of components in mixture MOLEFRAC Mole fraction MWMX RHOMX SFRAC SMX VFRAC VMX VOLFLMX Molecular weight of mixture Density of mixture Solid fraction Entropy of mixture Mole vapor fraction Volume of mixture Volume flow rate of mixture

PHASE V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST

TEMP PRES BASISUnits MOLE-FLOW MOLE-FLOW MOLE-DENSITY or MASS-DENSITY MOLE-ENTROPY or MASSENTROPY MOLE-VOLUME or VOLUMEFLOW VOLUME-FLOW

Notes
1 Ideal gas properties are computed at the specified temperature and the reference pressure of 1 atm. 2 PHASE = L is not allowed if two liquid phases are present. 3 Pseudocritical property; a mole-fraction average of the pure component critical properties. A PT-Envelope should be used to calculate the true mixture critical properties. 4 Based on pseudocritical property (see note 3). 5 Specify components for numerator and denominator of ratio as single component, component group, or boiling point range. 6 Specify single component, component group, or boiling point range. 7 Vapor-liquid K-value for PHASE=L1 is returned if two liquid phases are present. 8 Ratio of equilibrium solubility of the freeze-out component and its mole-fraction 9 Temperature at which a component at its given concentration just begins to freeze out 10 Temperature safety margin is defined as stream temperature freeze-out temperature (TFREEZ) 11 Should be obtained using FLASHCURVE with VFRAC=0.

Physical Property Data 11.1

Property Sets 4-17

12 PL cannot be calculated by the following property option sets: PENG-ROB, PRWS, PRMHV2, PSRK, RK-SOAVE, RKSWS, RKSMHV2, RK-ASPEN, STEAM-TA, STEAMNBS, LK-PLOCK, and SR-POLAR.
RE = (mass flow) viscosity 4
RE D

Dimensionless Reynolds Number can be computed from RE by dividing by pipe diameter (Reynolds Number ). Combined phase properties are calculated using the combined phase composition, not by mixing the properties of the individual phases. (PHASE=T, or PHASE=L when two liquid phases are present.) The effect of inhibitors on hydrate formation temperature and pressure is not observed. Temperature calculated for LVPCT=0, 5, 10, 30, 50, 70, 90, 95, 100 LVPCT required TEMP required Reports flow rates in 100 deg F or 50 deg C increments. All properties are component properties. Nonconventional component mixture properties cannot be computed using PROP-SET.

15 16 17 18 19 20

4-18 Property Sets

Physical Property Data 11.1

Index
A

AQU92 databank: 1-16 AQUEOUS databank: 1-15, 1-68 ASPENPCD databank: 1-16, 1-22
C

Databanks: 1-1, 1-4, 1-15, 1-16, 1-17, 1-18, 1-19, 1-22, 1-68 DFMS databank management: 1-4
E

ETHYLENE databank: 1-19 COMBUST databank: 1-19

D I

In-house databanks: 1-1 INORGANIC databank: 1-16

Databanks AQU92: 1-16 AQUEOUS: 1-15, 1-68 ASPENPCD: 1-16, 1-22 COMBUST: 1-19 ETHYLENE: 1-19 in-house: 1-1 INORGANIC: 1-16 managing with DFMS: 1-4 Pure Component: 1-22 PURE10: 1-18 PURE11: 1-17 PURE856: 1-18 PURE93: 1-18 SOLIDS: 1-18 system: 1-1 user: 1-1

Pure Component databanks: 1-22 PURE10 databank: 1-18, 1-22 PURE11 databank: 1-17, 1-22 PURE856 databank: 1-18, 1-22 PURE93 databank: 1-18, 1-22
S

SOLIDS databank: 1-18 System databanks: 1-1

User databanks: 1-1

Physical Property Data 11.1

Index 1

2 Index

Physical Property Data 11.1

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