APPENDIX A

Physical Property Data

A.1 CRITICAL CONSTANTS, ACENTRIC FACTORS, AND ANTOINE COEFFICIENTS:1

B
The Antoine equation is of the form: ln 1 Psat 3 bar 4 2 5 A 2
3 4
TK 1C

TABLE A.1.1 Organic compounds

Formula Name MW3g/mol4 Tc 3 K 4 Pc 3 bar 4 v A B C Tmin Tmix

CH2O Formaldehyde 30.026 408 65.86 0.253 9.8573 2204.13 230.15 185 271
CH4 Methane 16.042 190.6 46.00 0.008 8.6041 897.84 27.16 93 120
CH4O Methanol 32.042 512.6 80.96 0.559 11.9673 3626.55 234.29 257 364
C2 H 4 Acetylene 26.038 308.3 61.40 0.184 9.7279 1637.14 219.77 194 202
C2 H 3 N Acetonitrile 41.052 548 48.33 0.321 9.6672 2945.47 249.15 260 390
C2 H 4 Ethylene 28.053 282.4 50.36 0.085 8.9166 1347.01 218.15 120 182
C2 H 4 O Acetaldehyde 44.053 461 55.73 0.303 9.6279 2465.15 237.15 210 320
C2 H 4 O Ethylene oxide 44.053 469 71.94 0.200 10.1198 2567.61 229.01 300 310
C2 H 4 O 2 Acetic acid 60.052 594.4 57.86 0.454 10.1878 3405.57 256.34 290 430
C2 H 6 Ethane 30.069 305.4 48.74 0.099 9.0435 1511.42 217.16 130 199
C2 H 6 O Ethanol 46.068 516.2 63.83 0.635 12.2917 3803.98 241.68 270 369
C3 H 6 Propylene 42.080 365.0 46.20 0.148 9.0825 1807.53 226.15 160 240
C3 H 6 O Acetone 58.079 508.1 47.01 0.309 10.0311 2940.46 235.93 241 350
C3 H 8 Propane 44.096 370.0 42.44 0.152 9.1058 1872.46 225.16 164 249
C3 H 8 O 1-Propanol 60.095 536.7 51.68 0.624 10.9237 3166.38 280.15 285 400
C4 H 6 1,3-Butadiene 54.090 425 43.27 0.195 9.1525 2142.66 234.30 215 290
C4 H 8 cis-2-Butene 56.106 435.6 42.05 0.202 9.1969 2210.71 236.15 200 305
C4 H 8 trans-2-Butene 56.106 428.6 41.04 0.214 9.1975 2212.32 233.15 200 300
C4 H 8 O 2 Ethyl acetate 88.105 523.2 38.30 0.363 9.5314 2790.50 257.15 260 385
C4H10 n-Butane 58.122 425.2 37.90 0.193 9.0580 2154.90 234.42 195 290
C4H10 Isobutane 58.122 408.1 36.48 0.176 8.9179 2032.76 233.15 187 280
C4H10O n-Butanol 74.122 562.9 44.18 0.590 10.5958 3137.02 294.43 288 404
C5H10 1-Pentene 70.133 464.7 40.53 0.245 9.1444 2405.96 239.63 220 325
C5H12 n-Pentane 72.149 469.6 33.74 0.251 9.2131 2477.07 239.94 220 330
C6 H 6 Benzene 78.112 562.1 48.94 0.212 9.2806 2788.51 252.36 280 377
C6 H 6 O Phenol 94.111 694.2 61.30 0.440 9.8077 3490.89 298.59 345 481
C6 H 7 N Aniline 93.127 699 53.09 0.382 10.0546 3857.52 273.15 340 500
C6H12 Cyclohexane 84.159 553.4 40.73 0.213 9.1325 2766.63 250.50 280 380
C6H12 1-Hexene 84.159 504.0 31.71 0.285 9.1887 2654.81 247.30 240 360
C6H14 n-Hexane 86.175 507.4 29.69 0.296 9.2164 2697.55 248.78 245 370
(Continued)
1
For a more complete set of compounds, consult ThermoSolver, the text software.

639

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 640 Appendix A Physical Property Data

TABLE A.1.1 Continued

Formula Name MW3g/mol4 Tc 3 K 4 Pc 3 bar 4 v A B C Tmin Tmax

C7H8 Toluene 92.138 591.7 41.14 0.257 9.3935 3096.52 253.67 280 410
C7H14 1-Heptene 98.186 537.2 28.37 0.358 9.2692 2895.51 253.97 265 400
C7H16 n-Heptane 100.202 540.2 27.36 0.351 9.2535 2911.32 256.51 270 400
C8H8 Styrene 104.149 647.0 39.92 0.257 9.3991 3328.57 263.72 305 460
C8H10 o-Xylene 106.165 630.2 37.29 0.314 9.4954 3395.57 259.46 305 445
C8H10 m-Xylene 106.165 617.0 35.46 0.331 9.5188 3366.99 258.04 300 440
C8H10 p-Xylene 106.165 616.2 35.16 0.324 9.4761 3346.65 257.84 300 440
C8H10 Ethylbenzene 106.165 617.1 36.07 0.301 9.3993 3279.47 259.95 300 450
C8H16 1-Octene 112.213 566.6 26.24 0.386 9.3428 3116.52 260.39 288 420
C8H18 n-Octane 114.229 568.8 24.82 0.394 9.3224 3120.29 263.63 292 425
C9H20 n-Nonane 128.255 594.6 23.10 0.444 9.3469 3291.45 271.33 312 452
C10H8 Naphthalene 128.171 748.4 40.53 0.302 9.5224 3992.01 271.29 360 545
C10H22 n-Decane 142.282 617.6 21.08 0.490 9.3912 3456.80 278.67 330 476

TABLE A.1.2 Inorganic Compounds

Formula Name MW3g/mol4 Tc 3 K 4 Pc 3 bar 4 v A B C Tmin Tmax
Ar Argon 39.948 150.8 48.74 20.004 8.6128 700.51 25.84 81 94
BCl3 Boron trichloride 117.169 451.95 38.71 0.148 9.0985 2242.71 238.99 182 286
B2 H 6 Diborane 27.670 289.80 40.50 0.138 8.7074 1377.84 222.18 118 181
Br2 Bromine 159.808 584 103.35 0.132 9.2239 2582.32 251.56 259 354
CCl3F Trichlorofluoromethane 137.367 471.2 44.08 0.188 9.2314 2401.61 236.3 240 300
CF4 Carbon tetrafluoride 88.004 227.6 37.39 0.191 9.4341 1244.55 213.06 93 148
C2F6 Hexafluoroethane 138.012 292.8 30.42 0.255 9.1646 1559.11 224.51 180 195
CHCl3 Chloroform 119.377 536.4 54.72 0.216 9.3530 2696.79 246.16 260 370
CO Carbon monoxide 28.010 132.9 34.96 0.049 7.7484 530.22 213.15 63 108
CO2 Carbon dioxide 44.010 304.2 73.76 0.225 15.9696 3103.39 20.16 154 204
CS2 Carbon disulfide 76.143 552 79.03 0.115 9.3642 2690.85 231.62 228 342
Cl2 Chlorine 70.905 417 77.01 0.073 9.3408 1978.32 227.01 172 264
F2 Fluorine 37.997 144.3 52.18 0.048 9.0498 714.10 26.00 59 91
H2 Hydrogen 2.016 33.2 12.97 20.22 7.0131 164.90 3.19 14 25
HBr Hydrogen bromide 80.912 363.2 85.52 0.063 7.8485 1242.53 247.86 184 221
HCN Hydrogen cyanide 27.025 456.8 53.90 0.407 9.8936 2585.80 237.15 234 330
HCl Hydrogen chloride 36.461 324.6 83.09 0.12 9.8838 1714.25 214.45 137 200
H2O Water 18.015 647.3 220.48 0.344 11.6834 3816.44 246.13 284 441
H2S Hydrogen sulfide 34.082 373.2 89.37 0.100 9.4838 1768.69 226.06 190 230
NH3 Ammonia 17.031 405.6 112.77 0.250 10.3279 2132.50 232.98 179 261
He Helium-4 4.003 5.19 2.27 20.387 5.6312 33.7329 1.79 3.7 4.3
HF Hydrogen fluoride 20.006 461 64.85 0.372 11.0756 3404.49 15.06 206 313
Kr Krypton 83.800 209.4 55.02 20.002 8.6475 958.75 28.71 113 129
N2 Nitrogen 28.013 126.2 33.84 0.039 8.3340 588.72 26.60 54 90
NF3 Nitrogen trifluoride 71.002 234 45.29 0.132 8.9905 1155.69 215.37 103 155
N2O Nitrous oxide 44.013 309.6 72.45 0.160 9.5069 1506.49 225.99 144 200
NO Nitric oxide 30.006 180 64.85 0.607 13.5112 1572.52 24.88 95 140
NO2 Nitrogen dioxide 46.006 431.4 101.33 0.86 13.9122 4141.29 3.65 230 320
Ne Neon 20.180 44.4 27.56 0.00 7.3897 180.47 22.61 24 29
O2 Oxygen 31.999 154.6 50.46 0.021 8.7873 734.55 26.45 63 100
PH3 Phosphene 33.998 324.45 65.35 0.042 9.2700 1617.91 211.07 144 186
SF6 Sulfur hexafluoride 146.056 318.7 37.59 0.286 12.7583 2524.78 211.16 159 220
SO2 Sulfur dioxide 64.065 430.8 78.83 0.251 10.1478 2302.35 235.97 195 280

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 A.2 Heat Capacity Data 641

TABLE A.1.2 Continued

Formula Name MW3g/mol4 Tc 3 K 4 Pc 3 bar 4 v A B C Tmin Tmax
SO3 Sulfur trioxide 80.064 491.0 82.07 0.41 14.2201 3995.70 236.66 290 332
SiCl3H Trichlorosilane 135.452 479.0 41.7 0.203 9.7079 2694.02 227.00 275 305
SiCl4 Silicon tetrachloride 169.896 507.0 37.49 0.264 9.1817 2634.16 243.15 238 364
SiF4 Silicon tetrafluoride 104.079 259.09 37.15 0.456 16.3709 2810.45 26.88 129 128
SiH4 Silane 32.117 269.69 48.43 0.089 9.7222 1620.99 5.35 94 162
WF6 Tungsten hexafluoride 297.830 444.0 43.40 0.231 10.4899 2351.42 264.70 202 290
Sources: Mostly from R. C. Reid, J. M. Prausnitz, and T. K. Sherwood. The Properties of Gases and Liquids, 3rd ed. (New York: McGraw-Hill,
1977). Also from: CRC Handbook of Chemistry and Physics (Boca Raiton, FL CRC Press, (various) years); P. J. Linstrom and W. G. Mallard, Eds.,
NIST Chemistry WebBook, NIST Standard Reference Database Number 69, June 2005, National Institute of Standards and Technology,
Gaithersburg MD, 20899 (http://webbook.nist.gov/chemistry/fluid).; C. L. Yaws, Handbook of Vapor Pressure (vol. 4) (Houston: Gulf Publishing, 1995).

A.2 HEAT CAPACITY DATA

cp
5 A 1 BT 1 CT2 1 DT22 1 ET3 with T in 3 K 4
R

TABLE A.2.1 Heat Capacity of Ideal gases: Organic Compounds

Formula Name A B 3 103 C 3 106 D 3 1025 E 3 109 Tmin Tmax Source
CH2O Formaldehyde 2.264 7.022 21.877 298 1500 1
CH4 Methane 1.702 9.081 22.164 298 1500 1
CH4O Methanol 2.211 12.216 23.45 298 1500 1
C2 H 2 Acetylene 6.132 1.952 21.299 298 1500 1
C2 H 4 Ethylene 1.424 14.394 24.392 298 1500 1
C2 H 4 O Acetaldehyde 1.693 17.978 26.158 298 1000 1
C2 H 4 O Ethylene oxide 20.385 23.463 29.296 298 1000 1
C2 H 6 Ethane 1.131 19.225 25.561 298 1500 1
C2 H 6 O Ethanol 3.518 20.001 26.002 298 1500 1
C3 H 6 Propylene 1.637 22.706 26.915 298 1500 1
C3 H 8 Propane 1.213 28.785 28.824 298 1500 1
C4 H 6 l.3-Butadiene 2.734 26.786 28.882 298 1500 1
C4 H 8 1-Butene 1.967 31.63 29.873 298 1500 1
C4H10 n-Butane 1.935 36.915 211.402 298 1500 1
C4H10 Isobutane 1.677 37.853 211.945 298 1500 1
C5H10 1-Pentene 2.691 39.753 212.447 298 1500 1
C5H12 n-Pentane 2.464 45.351 214.111 298 1500 1
C6 H 6 Benzene 20.206 39.064 213.301 298 1500 1
C6H12 Cyclohexane 23.876 63.249 220.928 298 1500 1
C6H12 1-Hexene 3.220 48.189 215.157 298 1500 1
C6H14 n-Hexane 3.025 53.722 216.791 298 1500 1
C7 H 8 Toluene 0.290 47.052 215.716 298 1500 1
C7H14 1-Heptene 3.768 56.588 217.847 298 1500 1
C7H16 n-Heptane 3.570 62.127 219.468 298 1500 1
C8 H 8 Styrene 2.050 50.192 216.662 298 1500 1
C8H10 Ethylbenzene 1.124 55.38 218.476 298 1500 1
C8H16 1-Octene 4.324 64.96 220.521 298 1500 1
C8H18 n-Octane 8.163 70.567 222.208 298 1500 1
Sources:
1. J. M. Smith, H. C. Van Ness, and M. M. Abbott, Introduction to Chemical Engineering Thermodynamics, 5th ed. (New York: McGraw-Hill, 1996).
2. P. J. Linstrom and W. G. Mallard, Eds., NIST Chemistry WebBook, NIST Standard Reference Database Number 69, June 2005,
National Institute of Standards and Technology, Gaithersburg MD, 20899 (http://webbook.nist.gov/chemistry/fluid).

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