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PH Scan

The document is a graph showing the relationship between pH and pKa values ranging from -4 to 10 on the x-axis. The y-axis represents fractional protonation from -1 to 1. The graph plots a curve showing the protonation state of a molecule or functional group as pH changes, with the steepest parts of the curve near the pKa values where half of the molecules will be protonated and half deprotonated.

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alan benedetta
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0% found this document useful (0 votes)
69 views35 pages

PH Scan

The document is a graph showing the relationship between pH and pKa values ranging from -4 to 10 on the x-axis. The y-axis represents fractional protonation from -1 to 1. The graph plots a curve showing the protonation state of a molecule or functional group as pH changes, with the steepest parts of the curve near the pKa values where half of the molecules will be protonated and half deprotonated.

Uploaded by

alan benedetta
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as XLS, PDF, TXT or read online on Scribd
You are on page 1/ 35

pH-scan-graph

\\pH\\
pKa: -4 -3 -2 -1 0
v pCha v
-1 -0.999566 -0.995721 -0.961933 -0.791012 -0.431615
-0.75 -0.749756 -0.747578 -0.727413 -0.603469 -0.284095
-0.5 -0.499863 -0.498633 -0.486876 -0.402229 -0.129443
-0.25 -0.249923 -0.24923 -0.242475 -0.187762 0.034245
0 0.0000434229 0.000433644 0.00427921 0.0380667 0.208988
0.25 0.250024 0.250244 0.252422 0.272587 0.396531
8
0.5 0.500014 0.500137 0.501367 0.513124 0.597771
0.75 0.750008 0.750077 0.75077 0.757525 0.812238
1 1 1.00004 7
1.00043 1.00428 1.03807
1.25 1.25 1.25002 1.25024 1.25242 1.27259
1.5 1.5 1.50001 1.50014
6 1.50137 1.51312
1.75 1.75 1.75001 1.75008 1.75077 1.75752
2 2 2 2.00004
5 2.00043 2.00428
2.25 2.25 2.25 2.25002 2.25024 2.25242
2.5 2.5 2.5 2.50001 2.50014 2.50137
2.75 2.75 2.75 4
2.75001 2.75008 2.75077
3 3 3 3 3.00004 3.00043
3.25 3.25 pH 3.25 3
3.25 3.25002 3.25024
3.5 3.5 3.5 3.5 3.50001 3.50014
3.75 3.75 3.75 3.75
2 3.75001 3.75008
4 4 4 4 4 4.00004
4.25 4.25 4.25 4.25 4.25 4.25002
4.5 4.5 4.5 14.5 4.5 4.50001
4.75 4.74999 4.74999 4.74999 4.74999 4.74999
5 4.99996 4.99996 0
4.99996 4.99996 4.99996
5.25 5.24986 -3
5.24986 -1
5.24986 15.24986 3 5.24987 5 7
5.5 5.49957 5.49957 5.49957
-1 5.49957 5.49957
5.75 5.74863 5.74863 5.74863 5.74863 5.74863
6 5.99572 5.99572 5.99572 5.99572 5.99572
6.25 6.23688 6.23688 -2
6.23688 6.23688 6.23688
6.5 6.46193 6.46193 6.46193 6.46193 6.46193
Axis Title
6.75 6.65223 6.65223 6.65223 6.65223 6.65223
7 6.79101 6.79101 6.79101 6.79101 6.79101
7.25 6.87944 6.87944 6.87944 6.87944 6.87944
7.5 6.93161 6.93161 6.93161 6.93161 6.93161

Page 1
pH-scan-graph

7.75 6.96144 6.96144 6.96144 6.96144 6.96144


8 6.97829 6.97829 6.97829 6.97829 6.97829
8.25 6.98779 6.98779 6.98779 6.98779 6.98779
8.5 6.99313 6.99313 6.99313 6.99313 6.99313
8.75 6.99614 6.99614 6.99614 6.99614 6.99614
9 6.99783 6.99783 6.99783 6.99783 6.99783
9.25 6.99878 6.99878 6.99878 6.99878 6.99878
9.5 6.99931 6.99931 6.99931 6.99931 6.99931
9.75 6.99961 6.99961 6.99961 6.99961 6.99961
10 6.99978 6.99978 6.99978 6.99978 6.99978

Page 2
pH-scan-graph

1 2 3 4 5 6 7 8

0.0217057 0.506867 1.00217 1.50069 2.00022 2.50007 3.00002 3.50001


0.153936 0.634156 1.1279 1.62592 2.12529 2.62509 3.12503 3.62501
0.288564 0.762209 1.25386 1.75122 2.25039 2.75012 3.25004 3.75001
0.426374 0.89128 1.38015 1.87663 2.37551 2.87516 3.37505 3.87502
0.568385 1.02171 1.50687 2.00217 2.50069 3.00022 3.50007 4.00002
0.715905 1.15394 1.63416 2.1279 2.62592 3.12529 3.62509 4.12503
0.870557 1.28856 1.76221 2.25386 2.75122 3.25039 3.75012 4.25004
1.03424 1.42637 1.89128 2.38015 2.87663 3.37551 3.87516 4.37505
1.20899 1.56839 2.02171 2.50687 3.00217 3.50069 4.00022 4.50007
1.39653 1.7159 2.15394 2.63416 3.1279 3.62592 4.12529 4.62509
1.59777 1.87056 2.28856 2.76221 3.25386 3.75122 4.25039 4.75012
1.81224 2.03424 2.42637 2.89128 3.38015 3.87663 4.37551 4.87515
2.03807 2.20899 2.56839 3.02171 3.50687 4.00217 4.50068 5.0002
2.27259 2.39653 2.7159 3.15394 weak(10)
3.63416 4.1279 4.62591 5.12525
2.51312 2.59777 2.87056 3.28856 3.76221Q 4.25386
Column 4.75121 5.25032
2.75752 2.81224 3.03424 3.42637 3.89128O 4.38015
Column 4.87662 5.37539
3.00428 3.03807 3.20899 3.56839 4.02171M 4.50686
Column 5.00215 5.50047
3.25242 3.27259 3.39653 3.7159 4.15394K 4.63415
Column 5.12786 5.62553
3.50137 3.51312 3.59777 3.87056 4.28856
semi weak(4)4.7622 5.25379 5.75053
3.75077 3.75752 3.81224 4.03424 Column I 4.89127
4.42637 5.38002 5.8754
4.00043 4.00428 4.03807 4.20899 4.56838G 5.02168
Column 5.50664 5.99998
4.25024 4.25242 4.27259 4.39653 4.7159 5.15389 5.63375 6.12399
Column E
4.50013 4.50136 4.51312 4.59777 4.87054 5.28847 5.76146 6.24692
Column C
4.75006 4.75076 4.75751 4.81222 5.03421 5.4262 5.88992 6.36786
strong
5 5.00039 5.00424 5.03802 5.20891 5.56804 6.0192 6.48524
3 5 5.24989 7 5.25011 9 5.25228 11 5.27244 5.39632 5.7152 6.14928 6.59658
5.49958 5.4997 5.50093 5.51268 5.59721 5.86904 6.27984 6.69832
5.74864 5.74871 5.7494 5.75613 5.81063 6.03085 6.40983 6.78627
5.99573 5.99576 5.99615 5.99996 6.03337 6.20097 6.53685 6.8569
6.23688 6.2369 6.23711 6.23923 6.25876 6.37689 6.65624 6.90906
6.46193 6.46195 6.46206 6.46319 6.474 6.5496 6.76104 6.9446
Axis Title
6.65223 6.65224 6.65229 6.65287 6.65846 6.70184 6.84448 6.96726
6.79101 6.79102 6.79104 6.79133 6.79409 6.81703 6.90414 6.98104
6.87944 6.87944 6.87946 6.8796 6.88097 6.89284 6.9431 6.98915
6.93162 6.93162 6.93162 6.93169 6.9324 6.93863 6.967 6.99384

Page 3
pH-scan-graph

6.96144 6.96144 6.96144 6.96148 6.96185 6.9652 6.98112 6.99652


6.97829 6.97829 6.9783 6.97832 6.97852 6.98035 6.98928 6.99803
6.98779 6.98779 6.98779 6.9878 6.98791 6.98893 6.99394 6.99889
6.99313 6.99313 6.99313 6.99314 6.9932 6.99377 6.99658 6.99938
6.99614 6.99614 6.99614 6.99614 6.99618 6.99649 6.99807 6.99965
6.99783 6.99783 6.99783 6.99783 6.99785 6.99803 6.99892 6.9998
6.99878 6.99878 6.99878 6.99878 6.99879 6.99889 6.99939 6.99989
6.99931 6.99931 6.99931 6.99931 6.99932 6.99938 6.99966 6.99994
6.99961 6.99961 6.99961 6.99961 6.99962 6.99965 6.99981 6.99996
6.99978 6.99978 6.99978 6.99978 6.99979 6.9998 6.99989 6.99998

Page 4
pH-scan-graph

9 10
weak(10) semi weak(4)
4 4.5 -1 1.5 4.5
4.125 4.625 6.5 5.25 8.25
4.25 4.74999
4.375 4.87499
4.5 4.99998
4.62501 5.12496
4.75001 5.24994 strong
4.875 5.37488 6 6
5 5.49979 10 10
5.12499 5.62462
5.24997 5.74933
5.37493 5.8738 <-- concentration pCHA dilution -->
5.49985 5.99786
5.62471 6.1212
5.74944 6.24328
5.87394 6.36317
5.99805 6.47936
6.12145 6.58953
6.24361 6.69042
6.36359 6.7782
6.4799 6.84956
6.59018 6.90317
6.69114 6.94038
6.77894 6.96449
6.85025 6.97932
6.90373 6.98813
6.94079 6.99325
6.96476 6.99618
6.97949 6.99784
6.98823 6.99878
6.9933 6.99932
6.99621 6.99961
6.99786 6.99978
6.99879 6.99988
6.99932 6.99993

Page 5
pH-scan-graph

6.99962 6.99996
6.99979 6.99998
6.99988 6.99999
6.99993 6.99999
6.99996 7
6.99998 7
6.99999 7
6.99999 7
7 7
7 7

Page 6
pH-scan-graph

semi weak(4)

Page 7
pA-scan-graph

\\pA\\
pKa: -4 -3 -2 -1 0
v pCha v
-1 -0.999566 -0.995721 -0.961933 -0.791012 -0.431615
-0.75 -0.749756 -0.747578 -0.727413 -0.603469 -0.284095
-0.5 -0.499863 -0.498633 -0.486876 -0.402229 -0.129443
-0.25 -0.249923 -0.24923 -0.242475 -0.187762 0.034245
0 0.0000434229 0.000433644 0.00427921 0.0380667 0.208988
0.25 0.250024 0.250244 0.252422 0.272587 14 0.396531
0.5 0.500014 0.500137 0.501367 0.513124 0.597771
0.75 0.750008 0.750077 0.75077 0.757525 0.812238
12
1 1 1.00004 1.00043 1.00428 1.03807
1.25 1.25 1.25002 1.25024 1.25242 1.27259
1.5 1.5 1.50001 1.50014 1.50137 1.51312
10
1.75 1.75 1.75001 1.75008 1.75077 1.75752
2 2 2 2.00004 2.00043 2.00428
2.25 2.25 2.25 2.25002 2.25024 8 2.25242
2.5 2.5 2.5 2.50001 2.50014 2.50137
2.75 2.75 2.75 2.75001 2.75008 2.75077
3 3 3 pA 3 3.00004 6 3.00043
3.25 3.25 3.25 3.25 3.25002 3.25024
3.5 3.5 3.5 3.5 3.50001 3.50014
3.75 3.75 3.75 3.75 3.75001 4 3.75008
4 4 4 4 4 4.00004
4.25 4.25 4.25 4.25 4.25 4.25002
4.5 4.5 4.5 4.5 4.5 2 4.50001
4.75 4.75 4.75 4.75 4.75 4.75001
5 5 5 5 5 5
5.25 5.25 5.25 5.25 5.25 0 5.25
5.5 5.5 5.5 5.5-3 -1
5.5 15.5 3
5.75 5.75 5.75 5.75 5.75 5.75
6 6 6 6 6 -2 6
6.25 6.25 6.25 6.25 6.25 6.25
6.5 6.5 6.5 6.5 6.5 6.5 Axis T
6.75 6.75 6.75 6.75 6.75 6.75
7 7 7 7 7 7
7.25 7.25 7.25 7.25 7.25 7.25
7.5 7.5 7.5 7.5 7.5 7.5

Page 8
pA-scan-graph

7.75 7.75 7.75 7.75 7.75 7.75


8 8 8 8 8 8
8.25 8.25 8.25 8.25 8.25 8.25
8.5 8.5 8.5 8.5 8.5 8.5
8.75 8.75 8.75 8.75 8.75 8.75
9 9 9 9 9 9
9.25 9.25 9.25 9.25 9.25 9.25
9.5 9.5 9.5 9.5 9.5 9.5
9.75 9.75 9.75 9.75 9.75 9.75
10 10 10 10 10 10

Page 9
pA-scan-graph

1 2 3 4 5

0.0217057 0.506867 1.00217 1.50069 2.00022


0.153936 0.634156 1.1279 1.62592 2.12529
0.288564 0.762209 1.25386 1.75122 2.25039
0.426374 0.89128 1.38015 1.87663 2.37551
0.568385 1.02171 1.50687 2.00217 2.50069
14 0.715905 1.15394 1.63416 2.1279 2.62592
0.870557 1.28856 1.76221 2.25386 2.75122
1.03424 1.42637 1.89128 2.38015 2.87663
12
1.20899 1.56839 2.02171 2.50687 3.00217
1.39653 1.7159 2.15394 2.63416 3.1279
1.59777 1.87056 2.28856 2.76221 3.25386
10
1.81224 2.03424 2.42637 2.89128 3.38015
2.03807 2.20899 2.56839 3.02171
weak(10) 3.50687
8 2.27259 2.39653 2.7159 3.15394
Column Q 3.63416
2.51312 2.59777 2.87056 3.28856
Column O 3.76221
2.75752 2.81224 3.03424 3.42637
Column M 3.89128
6 3.00428 3.03807 3.20899 3.56839
Column K 4.02171
3.25242 3.27259 3.39653 3.71591 4.15394
semi weak(4)
3.50137 3.51312 3.59777 3.87056 4.28856
Column I
4 3.75077 3.75752 3.81224 4.03425 4.42638
Column G
4.00043 4.00428 4.03807 4.20899 4.56839
Column E
4.25024 4.25242 4.27259 4.39653 4.71591
Column C
2 4.50014 4.50137 4.51312 4.59777 4.87057
strong
4.75008 4.75077 4.75752 4.81224 5.03426
5.00004 5.00043 5.00428 5.03807 5.20902
0 5.25002 5.25024 5.25242 5.27259 5.39659
-1 1 3
5.50001 5 5.500147 95.50137 11 5.51314 5.59789
5.75001 5.75008 5.75077 5.75755 5.81245
-2 6 6.00004 6.00044 6.00432 6.03846
6.25 6.25003 6.25025 6.2525 6.2733
Axis
6.5 Title 6.50001 6.50015 6.50149 6.51434
6.75 6.75001 6.7501 6.75096 6.75943
7 7.00001 7.00007 7.0007 7.00692
7.25 7.25001 7.25006 7.25057 7.25568
7.5 7.50001 7.50005 7.50051 7.50504

Page 10
pA-scan-graph

7.75 7.75 7.75005 7.75047 7.75472


8 8 8.00005 8.00046 8.00454
8.25 8.25 8.25004 8.25045 8.25444
8.5 8.5 8.50004 8.50044 8.50439
8.75 8.75 8.75004 8.75044 8.75436
9 9 9.00004 9.00044 9.00434
9.25 9.25 9.25004 9.25044 9.25433
9.5 9.5 9.50004 9.50043 9.50433
9.75 9.75 9.75004 9.75043 9.75433
10 10 10 10.0004 10.0043

Page 11
pA-scan-graph

6 7 8 9 10

2.50007 3.00002 3.50001 4 4.5


2.62509 3.12503 3.62501 4.125 4.625
2.75012 3.25004 3.75001 4.25 4.75001
2.87516 3.37505 3.87502 4.37501 4.87501
3.00022 3.50007 4.00002 4.50001 5.00002
3.12529 3.62509 4.12503 4.62501 5.12504
3.25039 3.75012 4.25004 4.75002 5.25007
3.37551 3.87516 4.37505 4.87503 5.37513
3.50069 4.00022 4.50007 5.00004 5.50022
3.62592 4.12529 4.6251 5.12507 5.62539
3.75122 4.25039 4.75013 5.25011 5.7507
3.87663 4.37552 4.87518 5.37517 5.87623
4.00217 4.50069 5.00024 5.50029 6.00218
4.1279 4.62592 5.12533 5.62548 6.12886
4.25386 4.75123 5.25045 5.75081 6.2568
4.38015 4.87664 5.37564 5.87638 6.38693
4.50687 5.00219 5.5009 6.00238 6.52077
4.63416 5.12793 5.6263 6.12912 6.66064
4.76222 5.25393 5.75191 6.25715 6.8098
4.89129 5.38027 5.87785 6.38741 6.97207
5.02173 5.50709 6.00434 6.52141 7.15075
5.15398 5.63455 6.13175 6.66151 7.34717
5.28864 5.76291 6.26068 6.81099 7.56
5.42651 5.89254 6.39216 6.97366 7.78591
5.56864 6.02397 6.52784 7.15282 8.02109
5.71637 6.15801 6.67024 7.34973 8.26229
5.87143 6.29588 6.82283 7.56299 8.50718
6.03588 6.43949 6.9895 7.78923 8.75425
6.21207 6.59162 7.17327 8.02463 9.00259
6.40225 6.75607 7.37481 8.26598 9.25165
6.60792 6.93674 7.59204 8.51095 9.50112
6.8287 7.13572 7.82126 8.75807 9.75082
7.0616 7.3516 8.05867 9.00644 10.0007
7.3023 7.58041 8.30127 9.25552 10.2506
7.54734 7.81784 8.547 9.50499 10.5005

Page 12
pA-scan-graph

7.79467 8.06057 8.79456 9.7547 10.7505


8.04322 8.30642 9.04318 10.0045 11.0005
8.29241 8.55407 9.2924 10.2544 11.2504
8.54196 8.80274 9.54196 10.5044 11.5004
8.79171 9.05199 9.79171 10.7544 11.7504
9.04157 9.30157 10.0416 11.0043 12.0004
9.29149 9.55134 10.2915 11.2543 12.2504
9.54145 9.8012 10.5414 11.5043 12.5004
9.79142 10.0511 10.7914 11.7543 12.7504
10.0414 10.3011 11.0414 12.0043 13.0004

Page 13
pA-scan-graph

weak(10) semi weak(4)


-1 1.5 4.5
6.5 5.25 8.25

strong
6 6
10 10

<-- concentration pCHA dilution -->

Page 14
pA-scan-graph

Page 15
pHA-scan-graph

\\pHA\\
pKa: -4 -3 -2 -1 0
v pCha v
-1 2.00087 1.00856 0.0761334 -0.582025 -0.86323
-0.75 2.50049 1.50484 0.545174 -0.206938 -0.56819
-0.5 3.00027 2.0027321.8 1.02625 0.195542 -0.258887
-0.25 3.50015 2.50154 1.51505 0.624476 0.0684899
0 4.00009 3.00087 2.00856 1.07613 0.417975
0.25 4.50005 3.50049 2.50484 1.54517 0.793062
0.5 5.00003 4.00027 3.00273 2.02625 1.19554
0.75 5.50002 4.5001516.8 3.50154 2.51505 1.62448
1 6.00001 5.00009 4.00087 3.00856 2.07613
1.25 6.5 5.50005 4.50049 3.50484 2.54517
1.5 7 6.00003 5.00027 4.00273 3.02625
1.75 7.5 6.5000211.8 5.50015 4.50154 3.51505
2 8 7.00001 6.00009 5.00087 4.00856
2.25 8.5 7.5 6.50005 5.50049 4.50484
2.5 pHA9 8 7.00003 6.00027 5.00273
2.75 9.5 8.5 7.50002 6.50015 5.50154
3 10 96.8 8.00001 7.00009 6.00087
3.25 10.5 9.5 8.5 7.50005 6.50049
3.5 11 10 9 8.00003 7.00027
3.75 11.5 10.5 9.5 8.50002 7.50015
4 12 11 10 9.00001 8.00009
4.25 12.5 11.51.8 10.5 9.5 8.50005
4.5 13 12 11 10 9.00002
4.75 13.4999 -3 12.5
-1 11.5
1 3 10.5 5 9.57 9 11
5 14 12.9999 12 11 9.99997
5.25 14.4999 13.4998-3.2 12.4999 11.4999 10.4999
5.5 14.9992 13.9994 12.9996 11.9996 10.9996
5.75 15.5015 14.4992 13.4986 Axis Title
12.4986 11.4986
6 15.9957 14.9951 13.9959 12.9957 11.9957
6.25 16.4869 15.4881 14.4871 13.4869 12.4869
6.5 16.9619 15.959 14.9638 13.962 12.9619
6.75 17.4022 16.4227 15.406 14.4022 13.4022
7 17.791 16.791 15.7901 14.7904 13.791
7.25 18.1294 17.1294 16.1034 15.1301 14.1295
7.5 18.4316 17.4316 16.4632 15.4283 14.4315

Page 16
pHA-scan-graph

7.75 18.7114 17.7114 16.662 15.7188 14.7125


8 18.9783 17.9783 16.9586 15.9988 14.9788
8.25 19.2378 18.2378 17.2378 16.2778 15.2358
8.5 19.4931 18.4931 17.4931 16.4081 15.4958
8.75 19.7461 18.7461 17.7461 16.6951 15.7531
9 19.9978 18.9978 17.9978 16.9957 16.0033
9.25 20.2488 19.2488 18.2488 17.2488 16.2242
9.5 20.4993 19.4993 18.4993 17.4993 16.4171
9.75 20.7496 19.7496 18.7496 17.7496 16.6986
10 20.9998 19.9998 18.9998 17.9998 16.9996

Page 17
pHA-scan-graph

1 2 3 4 5 6 7

-0.956589 -0.986267 -0.995657 -0.998627 -0.999566 -0.999863 -0.999957


-0.692129 -0.731687 -0.744209 -0.748169 -0.749421 -0.749817 -0.749942
-0.422872 -0.475581 -0.492277 -0.497558 -0.499228 -0.499756 -0.499923
-0.147252 -0.21744 -0.239701 -0.246743 -0.24897 -0.249674 -0.249897
0.13677 0.0434114 0.013733 0.00434293 0.00137336 0.000434512 0.000137336
0.43181 0.307871 0.268313 0.255791 0.251831 0.250579 0.250183
0.741113 0.577128 0.524419 0.507723 0.502442 0.500772 0.500244
1.06849 0.852748 0.78256 0.760299 0.753257 0.75103 0.750435
1.41798 1.13677 1.04341 1.01373 1.00434 1.00137 1.00043
1.79306 1.43181 1.30787 1.26831 1.25579 1.25183 1.25058
2.19554 1.74111 weak(10)
1.57713 1.52442 1.50772 1.50244 1.50077
2.62448 2.06849 Column Q 1.78256
1.85275 1.7603 1.75326 1.75103
3.07613 2.41798 Column O 2.04341
2.13677 2.01373 2.00434 2.00137
3.54517 2.79306 Column M 2.30787
2.43181 2.26831 2.25579 2.25183
4.02625 3.19554 Column K
2.74111 2.57713 2.52442 2.50772 2.50244
4.51505 3.62448 semi weak(4)2.85275
3.06849 2.78256 2.7603 2.75326
5.00856 4.07613 Column I
3.41798 3.13677 3.04341 3.01373 3.00434
5.50484 4.54517 Column G 3.43181
3.79306 3.30787 3.26831 3.25579
6.00273 5.02625 4.19554
Column E 3.74111 3.57713 3.52442 3.50772
6.50154 5.51505 4.62448
Column C 4.06849 3.85275 3.78256 3.7603
7.00087 6.00856 5.07613
strong 4.41797 4.13677 4.04341 4.01373
7.50049 6.50484 5.54517 4.79306 4.43181 4.30787 4.2683
8.00027 7.00273 6.02624 5.19554 4.74111 4.57711 4.52438
5 7 8.50014
9 7.50153
11 6.51504 5.62446 5.06847 4.85271 4.78246
9.00004 8.00082 7.00851 6.07609 5.41792 5.13668 5.04317
9.49991 8.50035 7.50471 6.54504 5.79291 5.43157 5.30729
9.99959 8.99984 8.0023 7.02581 6.19509 5.74047 5.57572
Title 10.4986 9.49879 8.50017 7.51368 6.62309 6.06673 5.84931
10.9957 9.99581 8.99659 8.00428 7.07183 6.41304 6.12847
11.4869 10.4869 9.48736 8.49172 7.53206 6.77913 6.41231
11.9619 10.962 9.96221 8.96469 7.98834 7.15752 6.69778
12.4022 11.4022 10.4024 9.40383 8.41789 7.53054 6.98019
12.791 11.791 10.7911 9.79203 8.80101 7.87863 7.25574
13.1294 12.1295 11.1295 10.1302 9.13665 8.19514 7.52351
13.4316 12.4316 11.4317 10.4322 9.43744 8.48597 7.78484

Page 18
pHA-scan-graph

13.7114 12.7114 11.7115 10.712 9.71657 8.75987 8.04169


13.9783 12.9783 11.9783 10.9788 9.98306 9.02357 8.2957
14.2378 13.2378 12.2378 11.2382 10.2424 9.28134 8.54801
14.493 13.4932 12.4932 11.4936 10.4976 9.53573 8.79932
14.7466 13.7461 12.7462 11.7466 10.7505 9.7882 9.05007
14.9985 13.9978 12.9979 11.9983 11.0022 10.0396 9.30049
15.2515 14.2484 13.2488 12.2492 11.2531 10.2904 9.55073
15.5036 14.4994 13.4994 12.4997 11.5036 10.5408 9.80086
15.7481 14.7498 13.7497 12.75 11.7539 10.7911 10.0509
16.0065 14.9977 14 13.0002 12.0041 11.0412 10.301

Page 19
pHA-scan-graph

8 9 10

-0.999986 -0.999996 -0.999565 -1


-0.749982 -0.749994 -0.749998 6.5
-0.499976 -0.499992 -0.499998
-0.249967 -0.249565 -0.249997
0.0000434294 0.000434512 0.00000434273
0.250058 0.250018 0.250006
0.500077 0.500024 0.500435
0.750103 0.750435 0.750435 6
1.00014 1.00004 1.00001 10
1.25043 1.25043 1.25002
1.50024 1.50043 1.50002
1.75033 1.7501 1.75003 <-- concentration pCHA dilution -->
2.00043 2.00043 2.00004
2.25058 2.25018 2.25043
2.50077 2.50024 2.50043
2.75103 2.75032 2.7501
3.00137 3.00043 3.00043
3.25183 3.25057 3.25043
3.50244 3.50076 3.50043
3.75325 3.751 3.75043
4.00432 4.00131 4.00031
4.25574 4.25169 4.25043
4.5076 4.50213 4.50043
4.76001 4.7526 4.75043
5.01308 5.00307 5.00041
5.26682 5.25347 5.25043
5.52116 5.50377 5.50043
5.77577 5.75399 5.75043
6.03017 6.00412 6.00043
6.28387 6.25421 6.25043
6.53664 6.50426 6.50043
6.78852 6.75428 6.75043
7.0397 7.0043 7.00043
7.29042 7.25431 7.25043
7.54084 7.50431 7.50043

Page 20
pHA-scan-graph

7.79108 7.75432 7.75043


8.04121 8.00432 8.00043
8.29129 8.25432 8.25043
8.54134 8.50432 8.50043
8.79136 8.75432 8.75043
9.04137 9.00432 9.00043
9.29138 9.25432 9.25043
9.54139 9.50432 9.50043
9.79139 9.75432 9.75043
10.0414 10.0043 10.0004

Page 21
pHA-scan-graph

weak(10) semi weak(4)


1.5 4.5
5.25 8.25

strong
6
10

ncentration pCHA dilution -->

Page 22
quadratic+propagation

beware gnumeric bug


x
#ADDIN?
0 symbol meaning numerical abs uncertainty
#ADDIN?
a 1 1 0 -->
b Ka 0.001 1.00E-04 <--
Cha 1.00E-05 1.00E-07 <--
c -Ka Cha -0.00000001 1.00E-09 <--
b**2 0.000001 2.00E-07 <--
4ac -0.00000004 4.02E-09 <--
b**2 - 4ac 0.00000104 2.00E-07 -->
sqrt(..) 1.02E-03 9.81E-05 <--

-b + sqrt() 1.98E-05 1.40E-04 -->


../2 pH 9.90E-06 7.00E-05 -->

-b - sqrt() unphysical -2.02E-03 1.40E-04 -->


../2 big root -1.01E-03 7.00E-05 -->

c/a/bigroot pH 9.90E-06 1.21E-06 <--

pKa 3
pCha 5

%10.4g %10.4g
%12s %10s %s

Page 23
quadratic+propagation

Crank-Three-Times
rel uncertainty numerical abs

0 1
10.00% 0 1.00E-03
1.00% 1 1.01E-05 1.00E-07 -->
10.05% -0.0000000101 -1.00E-10 -->
20.00% 0.000001 0.00E+00 -->
10.05% -0.0000000404 -4.00E-10 -->
19.23% 0.0000010404 4.00E-10 -->
9.62% 1.02E-03 1.96E-07 -->

707.28% 2.00E-05 1.96E-07 -->


707.28% <<< 1.00E-05 9.80E-08 -->

6.93% -2.02E-03 -1.96E-07 -->


6.93% -1.01E-03 -9.80E-08 -->

12.21% 1.00E-05 9.80E-08 -->

3.000
4.996

%10.2f\%%

Page 24
quadratic+propagation

rel

0.99%
0.99%
0.00%
0.99%
0.04%
0.02%

0.98%
0.98% 721

0.01%
0.01%

0.98% 12

Page 25
acetic-acid

Acetic Acid
<-- concentration pCHA dilution -->
\\pH\\ pH
pKa: 4.745
v pCha v
-1 1.87279 Kitchen Vinegar
-0.75 1.99789 molar mass 60.052
-0.5 2.12302
-0.25 2.24819 acidity 5.00%
0 2.37342
0.25 2.49873 acid mass 50.00
0.5 2.62414 stock molarity 0.83
0.75 2.74968
1 2.87541 dilution molarity pC
1.25 3.00138 1 0.83 0.080
1.5 3.12768
1.75 3.25441 16 0.05 1.284
2 3.38171
2.25 3.50978 100 0.0083 2.080
2.5 3.63887
2.75 3.76933 1000 0.00083 3.080
3 3.9016
3.25 4.03629
3.5 4.17417
3.75 4.31628
4 4.46392
4.25 4.61873
4.5 4.78261
4.75 4.95758 Reverse Calculation
5 5.14535 pH dilution molarity pC
5.25 5.34676 6.5 #ADDIN? #ADDIN? #ADDIN?
5.5 5.56114
5.75 5.78618
6 6.01783
6.25 6.24946
6.5 6.46878
6.75 6.65574
7 6.79274
7.25 6.8803
7.5 6.93205

Page 26
acetic-acid

7.75 6.96167
8 6.97842
8.25 6.98786
8.5 6.99317
8.75 6.99616
9 6.99784
9.25 6.99879
9.5 6.99932
9.75 6.99962
10 6.99978

Page 27
acetic-acid

ration pCHA dilution -->

Chart Title
7.7

6.7

pH
#ADDIN? 5.7

#ADDIN?
4.7

#ADDIN?
Axis Title 3.7
#ADDIN?
2.7

1.7

0.7

pH -2 -0.3 0 2 4 6 8 10 1
#ADDIN?
Axis Title

Page 28
acetic-acid

6 8 10 12

le

Page 29
acetic-acid-not-too-dilute

pKa 4.75
Ka 1.78E-05

concentration [H] pH 5.50

0.000010 1.33E-05 4.88


0.000018 1.78E-05 4.75
5.00
0.0001 4.22E-05 4.38
0.001 1.33E-04 3.88
0.01 4.22E-04 3.38
0.1 1.33E-03 2.88 4.50
1 4.22E-03 2.38
pH
4.00

approx approx 3.50


concentration [H] pH [H] pH

0.000010 -5 1.33E-05 4.88 0.000007 5.15 3.00


0.000018 -4.75 1.78E-05-5.5 4.75
-5 -4.5 0.000011
-4 -3.54.96 -3 -2.5 -2
0.000036 -4.448970004 2.51E-05 4.60 0.000018 4.75
0.0001 -4 4.22E-05 4.38 log10 concentration
0.000034 4.47
0.001 -3 1.33E-04 3.88 0.000125 3.90
0.001780 -2.749579998 1.78E-04 3.75 0.000169 3.77
0.01 -2 4.22E-04 3.38 0.000413 3.38
0.1 -1 1.33E-03 2.88 0.001325 2.88
1 0 4.22E-03 2.38 0.004208 2.38

-4.75 4.75
-4.45 4.75

-0.301029996

Page 30
acetic-acid-not-too-dilute

../img48/acetic-acid-ph-vs-concentration.png

5.50

check against

5.00
http://www.engineeringtoolbox.com/acids-ph-d_401.html

3.4
4.50 2.9
2.4

4.00

3.50

check
3.00against
-4 -3.5 -3 http://www.engineeringtoolbox.com/acids-ph-d_401.html
-2.5 -2

concentration

3.4
2.9
2.4

Page 31
initial exploration

phenol Ka: 1.30E-10 9.89

Kw Ka Cha pCha [H+] pH


1E-14 1.30E-10 10 -1 3.61E-05 4.44
1E-14 1.30E-10 1 0 1.14E-05 4.94
1E-14 1.30E-10 0.1 1 3.61E-06 5.44
1E-14 1.30E-10 0.01 2 1.14E-06 5.94
1E-14 1.30E-10 0.001 3 3.74E-07 6.43
1E-14 1.30E-10 0.0001 4 1.52E-07 6.82
1E-14 1.30E-10 0.00001 5 1.06E-07 6.97
1E-14 1.30E-10 0.000001 6 1.01E-07 7.00
1E-14 1.30E-10 1E-07 7 1.00E-07 7.00
1E-14 1.30E-10 1E-08 8 1.00E-07 7.00
1E-14 1.30E-10 1E-09 9 1.00E-07 7.00
1E-14 1.30E-10 1E-10 10 1.00E-07 7.00

from chembuddy
Hcl Ka 1.00E+04 -4

Kw Ka Cha pCha [H+] pH


1E-14 1.00E+04 10 -1 9.99E+00 -1.00
1E-14 1.00E+04 1 0 1.00E+00 0.00
1E-14 1.00E+04 0.1 1 1.00E-01 1.00
1E-14 1.00E+04 0.01 2 1.00E-02 2.00
1E-14 1.00E+04 0.001 3 1.00E-03 3.00
1E-14 1.00E+04 0.0001 4 1.00E-04 4.00
1E-14 1.00E+04 0.00001 5 1.00E-05 5.00
1E-14 1.00E+04 0.000001 6 1.01E-06 6.00
1E-14 1.00E+04 1E-07 7 1.62E-07 6.79
1E-14 1.00E+04 1E-08 8 1.05E-07 6.98
1E-14 1.00E+04 1E-09 9 1.01E-07 7.00
1E-14 1.00E+04 1E-10 10 1.00E-07 7.00

Page 32
initial exploration

rhs
-1.40261809484502E-29
-2.38998807772181E-32
-5.4109533111006E-33
-2.10942461255059E-34
-1.23309357401258E-35
-2.93873587705572E-37
-4.81952683837138E-37
-6.70031779968704E-37
-4.81952683837138E-37
1.17075926691091E-24
1.287835193602E-24
1.29954278627127E-24

rhs
-1E-10 1.00E+04 -100000 -1.00E-10 -1.00E-10
-1.77457220852375E-12 1.00E+04 -10000 -1.00E-10 -1.77E-12
-5.50587879843115E-14 1.00E+04 -1000 -1.00E-10 -5.51E-14
-2.13770567828765E-16 1.00E+04 -100 -1.00E-10 -2.14E-16
-2.13430375959502E-18 1.00E+04 -10 -1.00E-10 -2.13E-18
9.999969943387E-13 1.00E+04 -1 -1.00E-10 1.00E-12
1.00019472283549E-15 1.00E+04 -0.1 -1.00E-10 1.00E-15
-7.62557127197322E-25 1.00E+04 -0.01 -1.00E-10 -7.63E-25
2.61793616585083E-21 1.00E+04 -0.001 -1.00E-10 2.62E-21
1.10519084655327E-22 1.00E+04 -0.0001 -1.00E-10 1.11E-22
1.00941884125612E-23 1.00E+04 -1E-05 -1.00E-10 1.01E-23
1.008126371549E-24 1.00E+04 -1E-06 -1.00E-10 1.01E-24

Page 33
initial exploration

slacker
model
8.00

3.61E-05 7.50 4.44


1.14E-05 4.94
3.61E-06 7.00 5.44
1.14E-06 5.94
6.50
3.61E-07 6.44
1.14E-07 6.00 6.94
3.61E-08 7.44
1.14E-08 5.50 7.94
3.61E-09 8.44
5.00
1.14E-09 8.94
3.61E-10 4.50 9.44
1.14E-10 9.94
4.00

3.50

3.00
-2 0 2 4 6 8 10 12

3.16E+02 -2.50
1.00E+02 -2.00
3.16E+01 -1.50
1.00E+01 -1.00
3.16E+00 -0.50
1.00E+00 0.00
3.16E-01 0.50
1.00E-01 1.00
3.16E-02 1.50
1.00E-02 2.00
3.16E-03 2.50
1.00E-03 3.00

Page 34
ssExport

ph-scan #ADDIN?

pa-scan #ADDIN?

pha-scan #ADDIN?

acetic-acid-ph-vs-concentration #ADDIN?

Page 35

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