Escolar Documentos
Profissional Documentos
Cultura Documentos
http://www
CurTiPot was written almost during weekends and holidays, in So Paulo and, sometimes in Guaec
See photos googling for [guaeca panoramio gutz]
pH and Acid-Base
Titration Curves:
Analysis and Simulation
simulation of experimental r
Features
Installation
Remarks
Fast Start
http://www2.iq.usp.br/docente/gutz/Curtipot_.html
is a courtesy of
History
is a courtesy of
History
s, see: www2.iq.usp.br/docente/gutz
pH calculation of aqueous solutions with activity coefficient and buffer capacity estimation (mixtures of up t
Simulation of simple and complex acid-base titration curves - Virtual Titrator
generation of curves with data equally spaced in pH or volume
simulation of experimental random errors in pH and volume
overlay of multiple simulated curves for comparison
Data analysis of real and simulated curves
Evaluation of curves with enhanced accuracy by interpolation, smoothing and automatic endpoint detect
determination of concentrations and refinement pKa values by non-linear regression
Distribution diagrams of species, protonation of bases and buffer capacity vs. pH and vs. added volume
Database with equilibrium constants (pKa) of 250 acid-base systems (expandable by the user)
Download the latest release of CurTiPot from www2.iq.usp.br/docente/gutz/Curtipot_.html
Read the License by placing the mouse on the red dot just at the left cell
If you agree with all terms of the License, enable macros and use CurTiPot freely
To enable the execution of macro-instructions in MS Excel follow instructions at the right ------->
------->
The Solver supplement is required only by the Regression module. Follow activation instructions given in the cell I19 of
Ionic strength and activity coefficient calculations are available in the pH_calc and Regression modules
Experimental pH values are assumed free of calibration, junction potential and alkaline errors of the sensor (to be corre
The author reserves the right not to be responsible for the correctness, completeness, accuracy and bug-free operation
Please report errors and incompatibilities of Curtipot (developed for Excel 9 and 10) to the author;
Due to the wide range of screen resolutions in use nowadays, some figure resizing/displacement may be required
BEGINNERS should prefer "CurTiPot_i with first steps" freeware, downloadable from http://www2.iq.usp.br/docente
Enable macros (see cell R16 above); click on the pH_calc tab, at the botton left of this page;
Read local instructions in comment boxes by placing the mouse on cells with red marks (like in Q14, Q17 and Q34 at th
Click on Calculate pH; if you are a high shool student and can't grasp all the stuff at once, look for the pH at the dark bl
Switch to the Simulation module and repeat the prealoded titration of phosphoric acid; start clicking on the buttons at th
Find endpoints of your real or simulated curves with Evaluation. There are buttons to load the last titration curve from S
Play and learn with the Distribution module; enjoy the Graphs before you advance to the less simple but more powerfu
Save your data, settings and results in Curtipot_anyname.xls files to preserve the original software (optionally deleting u
The software CurTiPot, version 1.0 for DOS (Borland Turbo Basic and Microsoft Disk Operating System), was created
Read about the name and origins of the program by placing the mouse on the red mark (cell Q34).
Version 2, improved and adapted for titrations with coulometric generation of reactants, was released in 1992
Version 3.0 for Excel, an evolution of the DOS version with added Regression module was released in 2006 (in Portug
Version 3.1 was the first release translated to English. It was launched at May 1st, 2006, at the site www2.iq.usp.br/doc
Version 3.2, released in December 2006, includes a separate pH_calc module with activity coefficient estimation.
Version 3.3, from January 2008, has a frindlier interface with the Database and includes logarithmic distribution diagram
Version 3.4, from October 2008, extends Ionic strength and activity coefficient calculations to the Regression module (fo
Version 3.5, Jan/Feb 2010, calculates Buffer Capacity (BC) and medium charge (z m) (pH_calc module) and plots BC an
Version 3.6, March 2012 - Inflections (endpoints) of real and simulated titrations are located automatically by the improv
CurTiPot has reached 130 countries with >50 thousand copies and was used and cited in more than fifty papers and the
------->
------->
------->
------->
------->
d alkaline errors of the sensor (to be corrected previously for best results)
stuff at once, look for the pH at the dark blue cell H23; change concentrations to see the effect;
horic acid; start clicking on the buttons at the left of the figure; change some concentrations afterwards;
vance to the less simple but more powerful Regression to fit concentrations and pKas;
the original software (optionally deleting unused spreadsheets, with exception of this first one);
soft Disk Operating System), was created in 1991 and launched in 1992.
ge (z m) (pH_calc module) and plots BC and zm and finds the isoelectric point (Distribution module).
ns are located automatically by the improved Evaluation module, with smoothing and interpolation.
and cited in more than fifty papers and thesis (see Google Academics)
by "Security Warning"
pH Calculator
Solution composition - reagents added, in mol/L
Acid / Base
Protonation
HCl
Acetic acid
Phosphoric
acid
EDTA
Hydroxide ion
[B]
0.02650
0.02000
[HB]
[H2B]
[H3B]
[H4B]
[H5B]
[H6B]
S[HiB]
S[H]
SziCi
0.0465
0.0665
-0.073
Na+
K+
Ca++
Cl-
NO3-
Electrolyte
Ci (mol/L)
ziCi
0.073
Charge Balance
OK
0.073
pH
7.001
a H+
9.986E-08
a OH-
1.008E-07
p[H]
6.894
[H+]
1.277E-07
[OH-]
1.290E-07
"pH"
7.321
gH
0.782
"[H ]"
4.773E-08
"[OH ]"
0.099501
2.110E-07
-1
-1
0.026248
Buffer Strength
mol.L .pH
Mean charge (zm) and mean protonation (hm) of the equilibrium HiB species at pH
Acid / Base
HCl
Acetic acid
Phosphoric
acid
EDTA
Hydroxide ion
zm
-1.000
-0.996
-1.570
-2.968
0.000
hm
0.000
0.004
1.430
1.032
1.000
EDTA
Hydroxide ion
0.000E+00
0.000E+00
HCl
Acetic acid
Phosphoric
acid
4.057E-07
[HB]
[H2B]
2.650E-02
[H3B]
[H4B]
2.196E-07
2.000E-02
[H5B]
[H6B]
S[HiB]
0.000E+00
0.000E+00
4.650E-02
HCl
Acetic acid
100.00
99.56
Phosphoric
acid
0.00
0.00
0.44
% H3 B
for pH 7.001
EDTA
Hydroxide ion
0.36
0.00
56.99
96.03
100.00
43.01
3.61
0.00
0.00
% H4 B
0.00
% H5 B
0.00
% H6 B
0.00
% S[HiB]
100.00
100.00
100.00
100.00
100.00
read comment
Fill out concentrations; Enter; Click button B18.
Ammonia
Carbonic acid
Acid / Base
HCl
Acetic acid
Charge of B
pKa1
-1
-1
-7.000
4.757
pKa2
pKa3
pKa4
pKa5
pKa6
SS
4.650E-02
Electrolyte
6.650E-02
Ion charge
Na
1
-0.073
pKw
13.997
SO4=
ClO4-
K
1
0.073
0.509
0.300
pOH
6.996
Acid / Base
HCl
Acetic acid
p[OH]
6.890
Charge of B
-1
-1
"pOH"
6.676
pK'an = logK'p1
-7.214
4.543
g OH
0.782
pK'an-1 = logK'p2
0.011399
pK'an-2 = logK'p3
Buffer Strength
pK'an-3 = logK'p4
7.001
Ammonia
Carbonic acid
pK'an-4 = logK'p5
0.996
-0.852
pK'an-5 = logK'p6
0.996
1.148
pK'w
1.38E+01
Carbonic acid
[H ]
1.28E-07
-
[OH ]
1.29E-07
0.000E+00
0.000E+00
SS
4.650E-02
Acid / Base
protonation
gB
g HB
g H2 B
g H3 B
g H4 B
g H5 B
g H6 B
HCl
Acetic acid
0.782
0.782
1.000
1.000
Carbonic acid
0.44
0.08
99.56
84.99
14.92
100.00
100.00
Eletrolyte
Na+
K+
gi
0.782
0.782
Phosphoric acid
EDTA
Hydroxide ion
Ammonia
Carbonic acid
-3
-4
-1
-2
2.148
0.000
15.745
9.244
6.352
7.199
1.500
12.350
2.000
10.329
2.680
6.110
10.170
Cl-
++
Ca
2
-1
NO3
-1
SO4
-2
ClO4
-1
Color coding
D o
n o t
c h a n g e
Change criteriously
Fill out, change or leave blank
0.09950
Phosphoric acid
EDTA
Hydroxide ion
Ammonia
Carbonic acid
-3
-4
-1
-2
11.709
9.315
15.531
9.244
9.902
6.772
5.469
1.934
2.253
6.138
1.786
1.500
0.214
for pH 7.001
and I = 0.0995
Phosphoric acid
EDTA
Hydroxide ion
Ammonia
Carbonic acid
0.109
0.020
0.782
1.000
0.374
0.374
0.109
1.000
0.782
0.782
0.782
0.374
1.000
0.782
1.000
0.782
0.374
1.000
Ca++
Cl-
NO3-
SO4=
0.374
0.782
0.782
0.782
ClO4-
bp1
bp2
bp3
bp4
bp5
bp6
Kw
HCl
Acetic acid
Phosphoric
acid
-1
-1
-3
-4
-1
5.715E+04
2.239E+12
1.479E+10
5.559E+15
3.540E+19
1.905E+16
4.977E+21
9.120E+18
9.120E+20
2.884E+22
2.884E+22
1.01E-14
6.11E-08
3.49E+04
EDTA
-4
5.11E+11
2.07E+09
3.02E+18
6.08E+14
2.60E+20
1.09E+17
6.65E+18
b'p5
2.10E+20
b'p6
3.44E+20
K'w
Hydroxide ion
1.000E-07
b'p1
b'p2
b'p3
b'p4
EDTA
1.65E-14
0.09950
Hydroxide ion
-1
3.40E+15
Acetic acid
Phosphoric
acid
Carbonic acid
Acid / Base
HCl
-2
-1
-3
2.133E+10
Charge of B
pKa1 = logKpn
-1
1.754E+09
-7.000
4.757
2.148
4.797E+16
pKa2 = logKpn-1
7.199
pKa3 = logKpn-2
12.350
pKa4 = logKpn-3
pKa5 = logKpn-4
pKa6 = logKpn-5
Temperature
25.0
25.0
25.0
Ionic strength
0.000
0.000
0.000
Carbonic acid
-2
7.97E+09
1.10E+16
Hydroxide ion
Ammonia
Carbonic acid
-4
-1
-2
0.000
15.745
9.244
6.352
1.500
10.329
2.000
2.680
6.110
10.170
25.0
25.0
25.0
25.0
0.100
0.000
0.000
0.000
acro-instructions in Excel
MS Excel 97-2003:
eload) curtipot_i.xls
ect Enable Macros
Phosphoric
acid
L-Glutamic
acid
Acetic acid
Ammonia
HCl
0.05
0
0.05
0
0
0.15
0
Strong ACID Strong BASE Carbonic ac.
0.1
S[HiB]
S[H]
0
0
initial "pH"
1.806
0.1
0
0
0
SS
1.00E-01
0.00E+00
0
0
0
0
0
0
Volumes of titrand and titrant (in mL)
Titrand
Water
Dispensed
added
20
Titrant max.
N of titrant additions
50.00
50
14.0
12.0
10.0
pH
8.0
6.0
4.0
2.0
Data ID on curves
Copying curves
0.0
0.0
Resizing axis
10.0
20.0
Volume of titrant (mL)
Other graphics
Data analysis
Vadd
"pH"
(mL)
simulated
0.000
1.806
Vadd
with "error"
(do not use)
"pH"
simulated
with "error"
[H]
CHtot =
CHcalc
1.563E-02
1.500E-01
Dil. factor
Titrand
(sample)
1.000E+00
2.157
4.096
5.754
7.077
8.061
8.749
9.210
9.508
9.697
9.817
9.894
9.944
9.982
10.014
10.050
10.098
10.170
10.282
10.457
10.730
11.144
11.748
12.577
13.626
14.824
16.044
17.146
18.041
18.706
19.169
19.478
19.677
19.804
19.886
19.941
19.982
20.018
20.059
20.115
20.200
20.333
20.548
20.896
21.459
22.365
23.818
26.155
29.983
36.644
50.000
2.020
2.235
2.449
2.664
2.878
3.093
3.307
3.522
3.736
3.951
4.165
4.380
4.594
4.809
5.023
5.238
5.452
5.667
5.881
6.096
6.310
6.525
6.739
6.954
7.168
7.383
7.598
7.812
8.027
8.241
8.456
8.670
8.885
9.099
9.314
9.528
9.743
9.957
10.172
10.386
10.601
10.815
11.030
11.244
11.459
11.673
11.888
12.102
12.317
12.531
9.540E-03
5.822E-03
3.553E-03
2.168E-03
1.323E-03
8.073E-04
4.927E-04
3.006E-04
1.835E-04
1.120E-04
6.832E-05
4.169E-05
2.544E-05
1.552E-05
9.474E-06
5.781E-06
3.528E-06
2.153E-06
1.314E-06
8.017E-07
4.892E-07
2.985E-07
1.822E-07
1.112E-07
6.784E-08
4.140E-08
2.526E-08
1.542E-08
9.408E-09
5.741E-09
3.503E-09
2.138E-09
1.305E-09
7.961E-10
4.858E-10
2.965E-10
1.809E-10
1.104E-10
6.737E-11
4.111E-11
2.509E-11
1.531E-11
9.342E-12
5.701E-12
3.479E-12
2.123E-12
1.296E-12
7.906E-13
4.824E-13
2.944E-13
1.354E-01
1.245E-01
1.165E-01
1.108E-01
1.069E-01
1.044E-01
1.027E-01
1.017E-01
1.010E-01
1.006E-01
1.004E-01
1.002E-01
1.001E-01
9.995E-02
9.983E-02
9.967E-02
9.944E-02
9.907E-02
9.850E-02
9.763E-02
9.633E-02
9.450E-02
9.209E-02
8.922E-02
8.615E-02
8.323E-02
8.076E-02
7.886E-02
7.751E-02
7.659E-02
7.599E-02
7.561E-02
7.537E-02
7.521E-02
7.511E-02
7.503E-02
7.497E-02
7.489E-02
7.478E-02
7.463E-02
7.438E-02
7.399E-02
7.336E-02
7.236E-02
7.081E-02
6.846E-02
6.500E-02
6.002E-02
5.296E-02
4.286E-02
9.026E-01
8.300E-01
7.766E-01
7.386E-01
7.127E-01
6.957E-01
6.847E-01
6.778E-01
6.735E-01
6.708E-01
6.690E-01
6.679E-01
6.671E-01
6.664E-01
6.656E-01
6.645E-01
6.629E-01
6.605E-01
6.567E-01
6.508E-01
6.422E-01
6.300E-01
6.139E-01
5.948E-01
5.743E-01
5.549E-01
5.384E-01
5.258E-01
5.167E-01
5.106E-01
5.066E-01
5.041E-01
5.025E-01
5.014E-01
5.007E-01
5.002E-01
4.998E-01
4.993E-01
4.986E-01
4.975E-01
4.959E-01
4.932E-01
4.890E-01
4.824E-01
4.721E-01
4.564E-01
4.333E-01
4.001E-01
3.531E-01
2.857E-01
Carbonic
acid
0
0
mes of titrand and titrant (in mL)
Sum
(initial vol.)
20.00
N of titrant additions
SS
5.000E-02
1.500E-01
41
98
Acid / Base
Boric acid
Phosphoric acid
L-Glutamic acid
Charge of B
pKa1
pKa2
pKa3
pKa4
pKa5
pKa6
-3
9.236
12.740
13.800
-3
2.148
7.199
12.350
-1
2.230
4.420
9.950
pKw
13.997
Remark: curves are simulated considering unit activity coefficients for all species (read remark in A
Dispersion simulation
Titration speed
0.000
0.000
S pH=
S Vol=
Slower
Faster
delay (s)
30.0
Volume of titrant (mL)
Dil. Factor
Titrant
(buret)
0.000E+00
40.0
50.0
60.0
h1
h2
h3
h4
h5
Boric acid
Phosphoric acid
L-Glutamic acid
Acetic acid
Ammonia
2.6873
9.735E-02
1.700E-01
2.234E-01
2.614E-01
2.873E-01
3.043E-01
3.153E-01
3.222E-01
3.265E-01
3.292E-01
3.310E-01
3.321E-01
3.329E-01
3.336E-01
3.344E-01
3.355E-01
3.371E-01
3.395E-01
3.433E-01
3.492E-01
3.578E-01
3.700E-01
3.861E-01
4.052E-01
4.257E-01
4.451E-01
4.616E-01
4.742E-01
4.833E-01
4.894E-01
4.934E-01
4.959E-01
4.975E-01
4.986E-01
4.993E-01
4.998E-01
5.002E-01
5.007E-01
5.014E-01
5.025E-01
5.041E-01
5.068E-01
5.110E-01
5.176E-01
5.279E-01
5.436E-01
5.667E-01
5.999E-01
6.469E-01
7.143E-01
2.5729
2.4501
2.3331
2.2336
2.1568
2.1019
2.0647
2.0403
2.0248
2.0149
2.0086
2.0043
2.0011
1.9981
1.9947
1.9900
1.9829
1.9718
1.9543
1.9270
1.8856
1.8252
1.7423
1.6374
1.5176
1.3956
1.2854
1.1960
1.1295
1.0831
1.0524
1.0325
1.0199
1.0119
1.0067
1.0032
1.0004
0.9977
0.9945
0.9899
0.9829
0.9719
0.9545
0.9274
0.8863
0.8262
0.7436
0.6390
0.5192
0.3973
Acetic acid
Ammonia
HCl
Carbonic acid
Strong ACID
-1
4.757
0
9.244
-1
-7.000
-2
6.352
10.329
-1
-6
h1 titrant
Strong ACID
h2 titrant
Strong BASE
h3 titrant
Carbonic ac.
h6
h7
HCl
Carbonic acid
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
0.9999
0.9999
0.9999
0.9998
0.9996
0.9994
Titrand
Strong BASE
Carbonic ac.
Acid / Base
Boric acid
Phosphoric
acid
L-Glutamic
acid
-1
15.745
-2
6.352
10.329
Charge of B
-3
6.310E+13
3.467E+26
5.970E+35
-3
2.239E+12
3.540E+19
4.977E+21
-1
8.913E+09
2.344E+14
3.981E+16
Kw
1.007E-14
bp1
bp2
bp3
bp4
bp5
bp6
Acetic acid
Ammonia
HCl
Carbonic acid
Strong ACID
Strong BASE
-1
5.715E+04
0
1.754E+09
-1
1.000E-07
-2
2.133E+10
4.797E+16
-1
1.000E-06
-1
5.559E+15
Carbonic ac.
Acid / Base
Boric acid
Phosphoric
acid
L-Glutamic
acid
-2
2.133E+10
4.797E+16
Charge of B
pKa1 = logKpn
pKa2 = logKpn-1
pKa3 = logKpn-2
pKa4 = logKpn-3
pKa5 = logKpn-4
pKa6 = logKpn-5
-3
9.236
12.740
13.800
-3
2.148
7.199
12.350
-1
2.230
4.420
9.950
Acetic acid
-1
4.757
HCl
Carbonic acid
0
9.244
-1
-7.000
-2
6.352
10.329
3.164802
5.550821
7.204449
8.284732
8.963467
9.379517
9.6307
9.780957
9.870347
9.923351
9.954719
9.973262
9.984215
9.990683
9.994501
9.996755
9.998085
9.99887
9.999334
9.999609
9.999772
9.99987
9.99993
9.999971
10
10.00004
10.00008
10.00015
10.00026
10.00045
10.00076
10.00129
10.00219
10.00371
10.00628
10.01065
10.01805
10.0306
10.05188
10.08802
10.14946
10.25414
10.4332
10.74151
11.27848
12.23258
13.9896
17.44934
25.2575
50
Vol
2
pH
2
0 1.838538
Vol
3
pH
3
0
1.30103
Vol
4
pH
4
Vol
5
pH
5
1.530077
1.759125
1.988172
2.21722
2.446267
2.675315
2.904362
3.13341
3.362457
3.591505
3.820552
4.0496
4.278647
4.507695
4.736742
4.96579
5.194837
5.423885
5.652932
5.88198
6.111027
6.340075
6.569122
6.79817
7.027217
7.256265
7.485312
7.71436
7.943407
8.172455
8.401502
8.63055
8.859597
9.088645
9.317692
9.54674
9.775787
10.00483
10.23388
10.46293
10.69198
10.92102
11.15007
11.37912
11.60817
11.83721
12.06626
12.29531
12.52436
12.7534
2.049407
3.938869
5.618284
7.032329
8.170884
9.08299
9.858687
10.60375
11.41871
12.37769
13.50223
14.74101
15.98032
17.09362
17.99712
18.67074
19.14162
19.45613
19.65993
19.78955
19.87128
19.92293
19.95629
19.97918
19.99705
20.01421
20.0348
20.06374
20.10787
20.17736
20.28762
20.46167
20.73226
21.1421
21.7385
22.55746
23.59709
24.79377
26.02813
27.17152
28.14247
28.93161
29.59039
30.21046
30.91664
31.88401
33.38986
35.93712
40.57981
50
2.050888
2.263239
2.475589
2.687939
2.900289
3.112639
3.32499
3.53734
3.74969
3.96204
4.174391
4.386741
4.599091
4.811441
5.023791
5.236142
5.448492
5.660842
5.873192
6.085542
6.297893
6.510243
6.722593
6.934943
7.147293
7.359644
7.571994
7.784344
7.996694
8.209045
8.421395
8.633745
8.846095
9.058445
9.270796
9.483146
9.695496
9.907846
10.1202
10.33255
10.5449
10.75725
10.9696
11.18195
11.3943
11.60665
11.819
12.03135
12.2437
12.45605
3.165531
5.551868
7.205499
8.285625
8.964158
9.380021
9.631052
9.781198
9.870507
9.923457
9.954788
9.973306
9.984243
9.990701
9.994512
9.996762
9.99809
9.998873
9.999336
9.99961
9.999772
9.99987
9.999931
9.999971
10
10.00004
10.00008
10.00015
10.00026
10.00045
10.00076
10.00129
10.00218
10.0037
10.00627
10.01063
10.01802
10.03054
10.0518
10.0879
10.14927
10.25386
10.43277
10.74088
11.27756
12.23125
13.98773
17.44677
25.25432
50
1.530137
1.759245
1.988352
2.21746
2.446567
2.675675
2.904782
3.13389
3.362997
3.592105
3.821212
4.05032
4.279427
4.508535
4.737642
4.96675
5.195857
5.424965
5.654072
5.88318
6.112287
6.341395
6.570502
6.79961
7.028717
7.257825
7.486932
7.71604
7.945147
8.174255
8.403362
8.63247
8.861577
9.090685
9.319792
9.5489
9.778007
10.00711
10.23622
10.46533
10.69444
10.92354
11.15265
11.38176
11.61087
11.83997
12.06908
12.29819
12.5273
12.7564
Vol
6
pH
6
Vol
7
pH
7
Vol
8
pH
8
Vol
9
pH
9
Vol
10
pH
10
Vol
11
pH
11
Vol
12
pH
12
Vol
13
pH
13
pKa1 = logKpn
2.148
b1
pKa2 = logKpn-1
7.199
b2
Phosphoric acid
pKa3 = logKpn-2
12.350
b3
pKa4 = logKpn-3
b4
pKa5 = logKpn-4
b5
pKa6 = logKpn-5
b6
Charge of B
-3
pKw
13.997
1.000000
Protonations
< aHiB
aB>
1.00
0.80
ai
0.60
0.40
0.20
0.00
0.0
1.0
2.0
3.0
4.0
5.0
6.0
7.0
pH
Buffer capacity
0.8
0.7
buffer capacity
0.6
0.5
0.4
0.3
0.2
8.0
9.0
10.0
11.0
0.2
0.1
0.0
0.0
1.0
2.0
3.0
4.0
5.0
6.0
7.0
8.0
9.0
10.0
11.0
12.0
pH
< aHiB
aB>
0.0
-1.0
log ai
-2.0
-3.0
-4.0
-5.0
-6.0
-7.0
-8.0
0.0
1.0
2.0
3.0
4.0
5.0
6.0
7.0
8.0
9.0
10.0
11.0
12.0
7.0
pH
8.0
9.0
10.0
11.0
12.0
pH
log buffer capacity
0.0
-1.0
-2.0
-3.0
-4.0
-5.0
-6.0
0.0
1.0
2.0
3.0
4.0
5.0
6.0
3.5
3.0
3.0
average protonation
2.5
2.0
1.5
1.0
0.5
0.0
0.0
1.0
2.0
3.0
4.0
5.0
6.0
7.0
8.0
9.0
10.0
11.0
12.0
8.0
9.0
10.0
11.0
12.0
pH
Mean charge (zm) of species HiB
0.0
-0.5
charge
-1.0
-1.5
-2.0
-2.5
-3.0
-3.5
0.0
1.0
2.0
3.0
4.0
5.0
6.0
7.0
pH
rotonation Curves
Warning:
bp
aB
2.239E+12
a HB
3.540E+19
a H 2B
4.977E+21
a H 3B
a H 4B
Data ID on curves
a H 5B
a H 6B
3
No Isoelectrc Point in the pH range
0 e 14
1.00
0.80
ai
0.60
0.40
0.20
0.00
12.0
13.0
0.0
14.0
10.0
20.0
30.0
Volume (mL)
0.8
0.7
0.6
buffer capacity
11.0
0.5
0.4
0.3
0.2
0.2
0.1
12.0
13.0
0.0
14.0
0.0
10.0
20.0
30.0
Volume (mL)
0.0
-1.0
log ai
-2.0
-3.0
-4.0
-5.0
-6.0
-7.0
-8.0
12.0
13.0
14.0
0.0
10.0
20.0
30.0
Volume (mL)
0.0
-1.0
-2.0
log buffer capacity
11.0
-3.0
-4.0
-5.0
-6.0
12.0
13.0
14.0
0.0
3.0
2.5
10.0
20.0
30.0
Volume (mL)
2.5
average protonation
2.0
1.5
1.0
0.5
0.0
12.0
13.0
0.0
14.0
10.0
20.0
30.0
Volume (mL)
11.0
-1.5
-2.0
-2.5
-3.0
12.0
13.0
14.0
0.0
10.0
20.0
30.0
Volume (mL)
Color coding
D o
n o t
c h a n g e
Change criteriously
Fill out, change or leave blank
pH
along a titration
< aHiB
aB>
14
pH
7
0
30.0
40.0
50.0
60.0
Volume (mL)
14
pH
7
0.000
0.200
0.400
0.600
0.800
1.000
1.200
1.400
1.600
1.800
2.000
2.200
2.400
2.600
2.800
3.000
3.200
3.400
3.600
3.800
4.000
4.200
4.400
4.600
4.800
5.000
5.200
5.400
5.600
5.800
6.000
6.200
6.400
6.600
6.800
7.000
7.200
7.400
7.600
7.800
8.000
h
2.993
2.989
2.982
2.972
2.957
2.934
2.899
2.848
2.779
2.690
2.584
2.470
2.359
2.261
2.182
2.123
2.081
2.053
2.034
2.021
2.013
2.008
2.004
2.001
1.998
1.995
1.991
1.985
1.976
1.962
1.941
1.909
1.863
1.799
1.715
1.613
1.499
1.386
1.284
1.200
1.136
30.0
40.0
50.0
0
60.0
Volume (mL)
along a titration
< aHiB
aB>
14
pH
7
0
30.0
40.0
50.0
60.0
Volume (mL)
14
pH
7
0
30.0
Volume (mL)
40.0
50.0
60.0
14
8.200
8.400
8.600
8.800
9.000
9.200
9.400
9.600
9.800
10.000
10.200
10.400
10.600
10.800
11.000
11.200
11.400
11.600
11.800
12.000
12.200
12.400
12.600
12.800
13.000
13.200
13.400
13.600
13.800
14.000
1.091
1.059
1.038
1.024
1.015
1.009
1.005
1.002
1.000
0.997
0.994
0.990
0.983
0.973
0.957
0.934
0.899
0.849
0.780
0.691
0.586
0.471
0.360
0.262
0.183
0.124
0.082
0.053
0.034
0.022
pH
7
30.0
40.0
50.0
60.0
Volume (mL)
pH
7
30.0
Volume (mL)
40.0
50.0
0
60.0
alpha 1
HB
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.001
0.001
0.002
0.003
0.004
0.006
0.010
0.016
0.025
0.038
0.059
0.091
0.137
0.201
0.285
0.387
0.501
0.614
0.716
0.800
0.863
alpha 2
H2B
0.007
0.011
0.018
0.028
0.043
0.066
0.101
0.152
0.221
0.310
0.416
0.530
0.641
0.739
0.818
0.877
0.918
0.947
0.966
0.978
0.986
0.990
0.993
0.994
0.994
0.992
0.989
0.984
0.975
0.961
0.940
0.909
0.863
0.799
0.715
0.613
0.499
0.386
0.284
0.200
0.137
alpha 4
H4B
alpha 5
H5B
alpha 6
H6B
Buffer
Capacity
2.319
1.478
0.956
0.640
0.460
0.373
0.355
0.388
0.454
0.529
0.582
0.588
0.539
0.450
0.347
0.251
0.174
0.117
0.077
0.050
0.033
0.023
0.016
0.014
0.014
0.018
0.025
0.037
0.056
0.085
0.129
0.191
0.273
0.370
0.469
0.547
0.576
0.546
0.469
0.369
0.272
Vol
pH
0.000
2.157
4.096
5.754
7.077
8.061
8.749
9.210
9.508
9.697
9.817
9.894
9.944
9.982
10.014
10.050
10.098
10.170
10.282
10.457
10.730
11.144
11.748
12.577
13.626
14.824
16.044
17.146
18.041
18.706
19.169
19.478
19.677
19.804
19.886
19.941
19.982
20.018
20.059
20.115
20.200
1.806
2.020
2.235
2.449
2.664
2.878
3.093
3.307
3.522
3.736
3.951
4.165
4.380
4.594
4.809
5.023
5.238
5.452
5.667
5.881
6.096
6.310
6.525
6.739
6.954
7.168
7.383
7.598
7.812
8.027
8.241
8.456
8.670
8.885
9.099
9.314
9.528
9.743
9.957
10.172
10.386
0.000
0.000
0.000
0.000
0.000
0.001
0.001
0.002
0.003
0.004
0.007
0.011
0.017
0.027
0.043
0.066
0.101
0.151
0.220
0.309
0.414
0.529
0.640
0.738
0.817
0.876
0.918
0.947
0.966
0.978
0.909
0.941
0.962
0.975
0.984
0.989
0.993
0.994
0.995
0.994
0.992
0.988
0.982
0.972
0.957
0.934
0.899
0.849
0.780
0.691
0.585
0.471
0.360
0.262
0.183
0.124
0.082
0.053
0.034
0.022
0.091
0.059
0.038
0.024
0.016
0.010
0.006
0.004
0.002
0.002
0.001
0.001
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.190
0.129
0.085
0.056
0.036
0.024
0.017
0.013
0.012
0.014
0.019
0.027
0.041
0.063
0.097
0.146
0.215
0.304
0.410
0.515
0.596
0.632
0.623
0.591
0.576
0.617
0.755
1.039
1.539
2.368
20.333
20.548
20.896
21.459
22.365
23.818
26.155
29.983
36.644
50.000
10.601
10.815
11.030
11.244
11.459
11.673
11.888
12.102
12.317
12.531
h
2.687
2.573
2.450
2.333
2.234
2.157
2.102
2.065
2.040
2.025
2.015
2.009
2.004
2.001
1.998
1.995
1.990
1.983
1.972
1.954
1.927
1.886
1.825
1.742
1.637
1.518
1.396
1.285
1.196
1.129
1.083
1.052
1.032
1.020
1.012
1.007
1.003
1.000
0.998
0.994
0.990
alpha 0
alpha 1
HB
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.001
0.001
0.001
0.002
0.004
0.007
0.011
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.001
0.001
0.002
0.002
0.004
0.007
0.011
0.018
0.029
0.046
0.073
0.114
0.175
0.258
0.363
0.482
0.604
0.715
0.804
0.870
0.917
0.947
0.967
0.979
0.987
0.991
0.994
0.995
0.994
0.992
0.989
alpha 2
H2B
0.313
0.427
0.550
0.667
0.766
0.843
0.898
0.935
0.959
0.975
0.984
0.990
0.993
0.994
0.994
0.992
0.988
0.982
0.971
0.954
0.927
0.885
0.825
0.742
0.637
0.518
0.396
0.285
0.196
0.129
0.083
0.052
0.033
0.020
0.012
0.008
0.005
0.003
0.002
0.001
0.001
alpha 3
H3B
0.687
0.573
0.450
0.333
0.234
0.157
0.102
0.065
0.041
0.025
0.015
0.010
0.006
0.004
0.002
0.001
0.001
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
alpha 4
H4B
alpha 5
H5B
alpha 6
H6B
0.983
0.972
0.955
0.927
0.886
0.826
0.744
0.639
0.519
0.397
0.017
0.028
0.046
0.073
0.114
0.174
0.256
0.361
0.481
0.603
0.982
0.971
0.954
0.927
0.886
0.826
0.744
0.639
0.519
0.397
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
scaling
scaling
Buffer
pH/14
n*pH/8
n*pH/6
Capacity
0.129
0.144
0.160
0.175
0.190
0.206
0.221
0.236
0.252
0.267
0.282
0.298
0.313
0.328
0.343
0.359
0.374
0.389
0.405
0.420
0.435
0.451
0.466
0.481
0.497
0.512
0.527
0.543
0.558
0.573
0.589
0.604
0.619
0.635
0.650
0.665
0.681
0.696
0.711
0.727
0.742
0.387
0.433
0.479
0.525
0.571
0.617
0.663
0.709
0.755
0.801
0.847
0.893
0.939
0.985
1.030
1.076
1.122
1.168
1.214
1.260
1.306
1.352
1.398
1.444
1.490
1.536
1.582
1.628
1.674
1.720
1.766
1.812
1.858
1.904
1.950
1.996
2.042
2.088
2.134
2.180
2.226
0.103
0.115
0.128
0.140
0.152
0.164
0.177
0.189
0.201
0.214
0.226
0.238
0.250
0.263
0.275
0.287
0.299
0.312
0.324
0.336
0.348
0.361
0.373
0.385
0.397
0.410
0.422
0.434
0.446
0.459
0.471
0.483
0.495
0.508
0.520
0.532
0.544
0.557
0.569
0.581
0.593
0.531
0.585
0.583
0.520
0.417
0.308
0.213
0.141
0.091
0.058
0.037
0.024
0.017
0.014
0.014
0.018
0.027
0.041
0.065
0.101
0.156
0.234
0.332
0.441
0.532
0.575
0.551
0.470
0.363
0.260
0.176
0.115
0.073
0.046
0.030
0.020
0.014
0.012
0.013
0.018
0.027
log alpha 0
pH
0.000
0.200
0.400
0.600
0.800
1.000
1.200
1.400
1.600
1.800
2.000
2.200
2.400
2.600
2.800
3.000
3.200
3.400
3.600
3.800
4.000
4.200
4.400
4.600
4.800
5.000
5.200
5.400
5.600
5.800
6.000
6.200
6.400
6.600
6.800
7.000
7.200
7.400
7.600
7.800
8.000
-19.909
-19.316
-18.727
-18.143
-17.568
-17.005
-16.458
-15.930
-15.425
-14.942
-14.480
-14.036
-13.606
-13.186
-12.773
-12.364
-11.959
-11.555
-11.153
-10.752
-10.352
-9.952
-9.552
-9.154
-8.756
-8.360
-7.966
-7.576
-7.190
-6.813
-6.446
-6.095
-5.762
-5.450
-5.162
-4.895
-4.647
-4.414
-2.151
-1.953
-1.756
-1.560
-1.367
-1.178
-0.994
-0.819
-0.656
-0.509
-0.381
-0.276
-0.193
-0.131
-0.087
-0.057
-0.037
-0.024
-0.015
-0.010
-0.006
-0.004
-0.003
-0.003
-0.003
-0.003
-0.005
-0.007
-0.011
-0.017
-0.027
-0.042
-0.064
-0.098
-0.146
-0.213
-0.302
-0.413
-0.546
-0.698
-0.865
-0.003
-0.005
-0.008
-0.012
-0.019
-0.030
-0.046
-0.071
-0.108
-0.161
-0.233
-0.328
-0.445
-0.583
-0.739
-0.909
-1.089
-1.276
-1.467
-1.662
-1.858
-2.056
-2.255
-2.455
-2.655
-2.855
-3.057
-3.259
-3.463
-3.669
-3.879
-4.093
-4.316
-4.550
-4.798
-5.065
-5.353
-5.665
-5.998
-6.350
-6.717
0.757
0.773
0.788
0.803
0.818
0.834
0.849
0.864
0.880
0.895
2.272
2.318
2.363
2.409
2.455
2.501
2.547
2.593
2.639
2.685
0.606
0.618
0.630
0.643
0.655
0.667
0.679
0.692
0.704
0.716
0.041
0.065
0.103
0.159
0.239
0.342
0.457
0.561
0.623
0.630
8.200
8.400
8.600
8.800
9.000
9.200
9.400
9.600
9.800
10.000
10.200
10.400
10.600
10.800
11.000
11.200
11.400
11.600
11.800
12.000
12.200
12.400
12.600
12.800
13.000
13.200
13.400
13.600
13.800
14.000
-4.191
-3.977
-3.767
-3.561
-3.357
-3.155
-2.953
-2.752
-2.552
-2.353
-2.153
-1.955
-1.758
-1.562
-1.369
-1.180
-0.996
-0.821
-0.658
-0.510
-0.382
-0.277
-0.194
-0.132
-0.088
-0.057
-0.037
-0.024
-0.015
-0.010
-0.041
-0.027
-0.017
-0.011
-0.007
-0.005
-0.003
-0.002
-0.002
-0.003
-0.003
-0.005
-0.008
-0.012
-0.019
-0.030
-0.046
-0.071
-0.108
-0.160
-0.232
-0.327
-0.444
-0.582
-0.738
-0.907
-1.087
-1.274
-1.465
-1.660
-1.042
-1.228
-1.418
-1.612
-1.808
-2.006
-2.204
-2.403
-2.603
-2.804
-3.004
-3.206
-3.409
-3.613
-3.820
-4.031
-4.247
-4.472
-4.709
-4.961
-5.233
-5.528
-5.845
-6.183
-6.539
-6.908
-7.288
-7.675
-8.066
-8.461
-7.094
-7.480
-7.870
-8.264
-8.660
-9.058
-9.456
-9.855
-10.255
-10.656
-11.056
-11.458
-11.861
-12.265
-12.672
-13.083
-13.499
-13.924
-14.361
-14.813
-15.285
-15.780
-16.297
-16.835
-17.391
-17.960
-18.540
-19.127
-19.718
a funciton of pH
0.000
2.157
4.096
5.754
7.077
8.061
8.749
9.210
9.508
9.697
9.817
9.894
9.944
9.982
10.014
10.050
10.098
10.170
10.282
10.457
10.730
11.144
11.748
12.577
13.626
14.824
16.044
17.146
18.041
18.706
19.169
19.478
19.677
19.804
19.886
19.941
19.982
20.018
20.059
20.115
20.200
same
log alpha 0
pH
0.000
0.200
0.400
0.600
0.800
1.000
1.200
1.400
1.600
1.800
2.000
2.200
2.400
2.600
2.800
3.000
3.200
3.400
3.600
3.800
4.000
4.200
4.400
4.600
4.800
5.000
5.200
5.400
5.600
5.800
6.000
6.200
6.400
6.600
6.800
7.000
7.200
7.400
7.600
7.800
8.000
-16.442
-15.878
-15.339
-14.826
-14.337
-13.866
-13.410
-12.963
-12.523
-12.087
-11.654
-11.223
-10.792
-10.363
-9.934
-9.505
-9.078
-8.652
-8.228
-7.806
-7.390
-6.981
-6.582
-6.199
-5.837
-5.498
-5.186
-4.898
-4.633
-4.384
-4.147
-3.918
-3.694
-3.474
-3.257
-3.040
-2.825
-2.610
-2.395
-2.182
-1.969
-0.505
-0.369
-0.260
-0.176
-0.116
-0.074
-0.047
-0.029
-0.018
-0.011
-0.007
-0.005
-0.003
-0.003
-0.003
-0.003
-0.005
-0.008
-0.013
-0.020
-0.033
-0.053
-0.083
-0.129
-0.196
-0.286
-0.403
-0.544
-0.708
-0.888
-1.080
-1.280
-1.486
-1.695
-1.906
-2.118
-2.332
-2.546
-2.761
-2.976
-3.192
-0.721
-0.891
-1.070
-1.255
-1.440
-1.616
-1.771
-1.878
-1.909
-1.852
-1.727
-1.564
-1.383
-1.198
-1.014
-0.835
-0.668
-0.516
-0.388
-0.288
-0.225
-0.199
-0.206
-0.228
-0.240
-0.210
-0.122
0.017
0.187
0.374
20.333
20.548
20.896
21.459
22.365
23.818
26.155
29.983
36.644
50.000
8.200
8.400
8.600
8.800
9.000
9.200
9.400
9.600
9.800
10.000
10.200
10.400
10.600
10.800
11.000
11.200
11.400
11.600
11.800
12.000
12.200
12.400
12.600
12.800
13.000
13.200
13.400
13.600
13.800
14.000
-1.757
-1.548
-1.341
-1.139
-0.944
-0.760
-0.591
-0.442
-0.318
-0.220
-0.008
-0.013
-0.020
-0.033
-0.052
-0.083
-0.129
-0.195
-0.285
-0.401
-3.409
-3.629
-3.851
-4.078
-4.312
-4.557
-4.817
-5.098
-5.402
-5.733
-6.968
-6.845
-6.723
-6.600
-6.478
-6.355
-6.233
-6.110
-5.987
-5.865
-5.742
-5.620
-5.497
-5.375
-5.252
-5.129
-5.007
-4.884
-4.762
-4.639
-4.517
-4.394
-4.271
-4.149
-4.026
-3.904
-3.781
-3.659
-3.536
-3.413
-3.291
-3.168
-3.046
-2.923
-2.801
-2.678
-2.555
-2.433
-2.310
-2.188
-2.065
-5.226
-5.134
-5.042
-4.950
-4.858
-4.766
-4.674
-4.583
-4.491
-4.399
-4.307
-4.215
-4.123
-4.031
-3.939
-3.847
-3.755
-3.663
-3.571
-3.479
-3.387
-3.296
-3.204
-3.112
-3.020
-2.928
-2.836
-2.744
-2.652
-2.560
-2.468
-2.376
-2.284
-2.192
-2.100
-2.008
-1.917
-1.825
-1.733
-1.641
-1.549
-0.275
-0.233
-0.234
-0.284
-0.380
-0.512
-0.672
-0.851
-1.042
-1.239
-1.435
-1.620
-1.772
-1.856
-1.843
-1.739
-1.576
-1.387
-1.190
-0.994
-0.806
-0.632
-0.479
-0.356
-0.274
-0.240
-0.259
-0.328
-0.440
-0.586
-0.755
-0.940
-1.135
-1.333
-1.529
-1.708
-1.847
-1.909
-1.871
-1.748
-1.576
vs
pH
0.000
0.200
0.400
0.600
0.800
1.000
1.200
1.400
1.600
1.800
2.000
2.200
2.400
2.600
2.800
3.000
3.200
3.400
3.600
3.800
4.000
4.200
4.400
4.600
4.800
5.000
5.200
5.400
5.600
5.800
6.000
6.200
6.400
6.600
6.800
7.000
7.200
7.400
7.600
7.800
8.000
vs
zm
Vol
-0.007
-0.011
-0.018
-0.028
-0.043
-0.066
-0.101
-0.152
-0.221
-0.310
-0.416
-0.530
-0.641
-0.739
-0.818
-0.877
-0.919
-0.947
-0.966
-0.979
-0.987
-0.992
-0.996
-0.999
-1.002
-1.005
-1.009
-1.015
-1.024
-1.038
-1.059
-1.091
-1.137
-1.201
-1.285
-1.387
-1.501
-1.614
-1.716
-1.800
-1.864
1.806
2.020
2.235
2.449
2.664
2.878
3.093
3.307
3.522
3.736
3.951
4.165
4.380
4.594
4.809
5.023
5.238
5.452
5.667
5.881
6.096
6.310
6.525
6.739
6.954
7.168
7.383
7.598
7.812
8.027
8.241
8.456
8.670
8.885
9.099
9.314
9.528
9.743
9.957
10.172
10.386
-11.862
-12.296
-12.732
-13.174
-13.622
-14.082
-14.557
-15.052
-15.571
-16.116
-1.943
-1.820
-1.697
-1.575
-1.452
-1.330
-1.207
-1.085
-0.962
-0.839
-1.457
-1.365
-1.273
-1.181
-1.089
-0.997
-0.905
-0.813
-0.721
-0.630
-1.383
-1.184
-0.987
-0.797
-0.622
-0.466
-0.340
-0.251
-0.206
-0.201
8.200
8.400
8.600
8.800
9.000
9.200
9.400
9.600
9.800
10.000
10.200
10.400
10.600
10.800
11.000
11.200
11.400
11.600
11.800
12.000
12.200
12.400
12.600
12.800
13.000
13.200
13.400
13.600
13.800
14.000
-1.909
-1.941
-1.962
-1.976
-1.985
-1.991
-1.995
-1.998
-2.000
-2.003
-2.006
-2.010
-2.017
-2.027
-2.043
-2.066
-2.101
-2.151
-2.220
-2.309
-2.414
-2.529
-2.640
-2.738
-2.817
-2.876
-2.918
-2.947
-2.966
-2.978
10.601
10.815
11.030
11.244
11.459
11.673
11.888
12.102
12.317
12.531
zm
-0.313
-0.427
-0.550
-0.667
-0.766
-0.843
-0.898
-0.935
-0.960
-0.975
-0.985
-0.991
-0.996
-0.999
-1.002
-1.005
-1.010
-1.017
-1.028
-1.046
-1.073
-1.114
-1.175
-1.258
-1.363
-1.482
-1.604
-1.715
-1.804
-1.871
-1.917
-1.948
-1.968
-1.980
-1.988
-1.993
-1.997
-2.000
-2.002
-2.006
-2.010
z+N.pH/14
-2.613
-2.567
-2.521
-2.475
-2.429
-2.383
-2.337
-2.291
-2.245
-2.199
-2.153
-2.107
-2.061
-2.015
-1.970
-1.924
-1.878
-1.832
-1.786
-1.740
-1.694
-1.648
-1.602
-1.556
-1.510
-1.464
-1.418
-1.372
-1.326
-1.280
-1.234
-1.188
-1.142
-1.096
-1.050
-1.004
-0.958
-0.912
-0.866
-0.820
-0.774
-2.017
-2.028
-2.045
-2.073
-2.114
-2.174
-2.256
-2.361
-2.481
-2.603
-0.728
-0.682
-0.637
-0.591
-0.545
-0.499
-0.453
-0.407
-0.361
-0.315
Degree of smoothing
(0 to 100%)
Interpolated points
Fitted pH
dpH/dV
0.000
2.499
4.618
6.278
7.499
8.355
8.934
9.318
9.569
9.734
9.844
9.922
9.984
10.042
10.108
2.265
2.386
2.664
2.784
3.059
3.302
3.437
3.552
3.823
3.891
4.301
4.118
4.422
4.841
5.186
2.2650
2.3873
2.6616
2.7868
3.0608
3.2903
3.4062
3.5555
3.7837
4.0265
4.2442
4.4232
4.5776
4.7280
4.8961
0.0174
0.1139
0.0817
0.1468
0.2843
0.2091
0.2443
0.6871
1.2841
1.8639
2.2537
2.4997
2.5932
2.5385
2.3347
10.198
5.192
5.0982
1.9871
10.328
10.525
10.825
11.278
11.953
5.380
5.567
5.768
6.083
6.222
5.3370
5.5895
5.8282
6.0669
6.2357
1.5018
0.9782
0.6343
0.3735
0.2006
12.926
14.267
16.007
18.090
20.362
22.596
24.584
26.199
27.418
28.288
28.885
6.444
6.617
6.828
6.995
7.224
7.537
7.631
7.783
7.983
8.285
8.406
6.4405
6.6186
6.8270
6.9953
7.2250
7.5356
7.6323
7.7808
7.9917
8.2628
8.4041
0.1819
0.1164
0.1034
0.0755
0.1404
0.0866
0.0589
0.1144
0.2901
0.2432
0.3238
29.284
29.547
29.720
29.836
29.918
29.983
30.045
30.116
8.629
8.798
9.096
9.085
9.400
9.451
9.812
10.285
8.5881
8.8196
9.0661
9.2870
9.4741
9.6368
9.7967
9.9775
0.6890
1.2411
1.7818
2.2237
2.4839
2.5930
2.5596
2.3533
raw data
300
smoothed data
14
12
10
8
pH
pH
6
4
2
0
0
10
20
Volume (mL)
2nd derivative
1st derivative
2
1
dpH/dV
Volume
80
0
0
-1
-2
-3
10
20
30.212
30.354
30.570
30.905
31.427
32.239
33.495
35.422
38.365
42.878
50.000
10.295
10.522
10.628
10.915
11.085
11.226
11.385
11.677
11.805
12.007
12.224
10.1952
10.4478
10.7013
10.9279
11.0960
11.2276
11.3864
11.6756
11.8057
12.0073
12.2235
1.9722
1.4191
0.8725
0.4652
0.2113
0.1279
0.1433
0.1129
0.0229
0.0474
0.0217
0.000
Final volume
50.000
0.0963
Correlation coefficient
0.9995
30
40
50
Volume
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
10.0158
30.0292
60
Volume (mL)
30
40
50
60
step
Vol. Inflection
1
2
3
4
5
6
7
8
9
10
10.0158
30.0292
Color coding
D o
c h a n g e
or
change
Interp. Vol.
Fitted pH
dpH/dV
d pH/dV
0.0000
0.1667
0.3333
0.5000
0.6667
0.8333
1.0000
1.1667
1.3333
1.5000
1.6667
1.8333
2.0000
2.1667
2.3333
2.2650
2.2680
2.2710
2.2744
2.2781
2.2824
2.2875
2.2933
2.3002
2.3082
2.3174
2.3280
2.3402
2.3541
2.3698
0.0174
0.0178
0.0191
0.0212
0.0241
0.0279
0.0325
0.0380
0.0443
0.0515
0.0595
0.0683
0.0780
0.0885
0.0999
0.0000
0.0025
0.0051
0.0076
0.0101
0.0126
0.0152
0.0177
0.0202
0.0227
0.0253
0.0278
0.0303
0.0328
0.0354
2.5000
2.3874
0.1121
0.0378
2.6667
2.8333
3.0000
3.1667
3.3333
2.4071
2.4285
2.4512
2.4748
2.4990
0.1235
0.1326
0.1394
0.1439
0.1460
0.0308
0.0238
0.0168
0.0099
0.0029
3.5000
3.6667
3.8333
4.0000
4.1667
4.3333
4.5000
4.6667
4.8333
5.0000
5.1667
2.5233
2.5475
2.5710
2.5935
2.6146
2.6339
2.6510
2.6656
2.6777
2.6879
2.6970
0.1458
0.1432
0.1384
0.1312
0.1216
0.1098
0.0956
0.0794
0.0660
0.0572
0.0531
-0.0041
-0.0111
-0.0181
-0.0251
-0.0321
-0.0391
-0.0461
-0.0470
-0.0332
-0.0194
-0.0057
5.3333
5.5000
5.6667
5.8333
6.0000
6.1667
6.3333
6.5000
2.7058
2.7151
2.7255
2.7380
2.7532
2.7719
2.7949
2.8225
0.0535
0.0585
0.0681
0.0822
0.1010
0.1244
0.1519
0.1785
0.0081
0.0219
0.0356
0.0494
0.0632
0.0769
0.0836
0.0758
4.661
9.755
dpH/dV
Fill out
n o t
2.598996092 -0.022834502
2.602270413 -0.157678286
d pH/dV
stepwise
mL
mol/L
Result (mol/L)
[species]
6.6667
6.8333
7.0000
7.1667
7.3333
7.5000
7.6667
7.8333
8.0000
8.1667
8.3333
8.5000
8.6667
8.8333
9.0000
9.1667
9.3333
9.5000
9.6667
9.8333
10.0000
10.1667
10.3333
10.5000
10.6667
10.8333
11.0000
11.1667
11.3333
11.5000
11.6667
11.8333
12.0000
12.1667
12.3333
12.5000
12.6667
12.8333
13.0000
13.1667
13.3333
13.5000
13.6667
13.8333
14.0000
14.1667
14.3333
14.5000
14.6667
14.8333
15.0000
15.1667
15.3333
15.5000
15.6667
15.8333
2.8542
2.8898
2.9287
2.9705
3.0147
3.0610
3.1088
3.1566
3.2030
3.2466
3.2857
3.3196
3.3510
3.3839
3.4226
3.4773
3.5658
3.7061
3.9160
4.2204
4.6198
5.0311
5.3451
5.5633
5.7169
5.8338
5.9340
6.0192
6.0873
6.1388
6.1788
6.2124
6.2451
6.2800
6.3164
6.3531
6.3890
6.4230
6.4540
6.4816
6.5065
6.5290
6.5498
6.5694
6.5883
6.6071
6.6263
6.6462
6.6666
6.6873
6.7082
6.7290
6.7496
6.7698
6.7895
6.8084
0.2024
0.2238
0.2425
0.2586
0.2722
0.2831
0.2882
0.2843
0.2714
0.2496
0.2187
0.1917
0.1888
0.2105
0.2634
0.4111
0.6691
1.0322
1.5153
2.1334
2.5937
2.2100
1.5698
1.0827
0.7861
0.6418
0.5585
0.4619
0.3545
0.2690
0.2155
0.1939
0.2028
0.2148
0.2202
0.2188
0.2108
0.1961
0.1757
0.1570
0.1416
0.1294
0.1206
0.1150
0.1126
0.1136
0.1174
0.1210
0.1235
0.1249
0.1252
0.1245
0.1227
0.1198
0.1158
0.1108
0.0679
0.0601
0.0523
0.0445
0.0367
0.0288
0.0018
-0.0251
-0.0521
-0.0790
-0.1059
-0.0453
0.0282
0.1016
0.2773
0.6085
0.9371
1.2411
1.7369
1.7011
0.3513
-1.9318
-1.7807
-1.1430
-0.6601
-0.2303
-0.2699
-0.3096
-0.3045
-0.2086
-0.1127
-0.0168
0.0462
0.0261
0.0061
-0.0140
-0.0341
-0.0542
-0.0609
-0.0511
-0.0413
-0.0315
-0.0217
-0.0119
-0.0021
0.0077
0.0123
0.0091
0.0059
0.0026
-0.0006
-0.0038
-0.0070
-0.0103
-0.0135
-0.0167
16.0000
16.1667
16.3333
16.5000
16.6667
16.8333
17.0000
17.1667
17.3333
17.5000
17.6667
17.8333
18.0000
18.1667
18.3333
18.5000
18.6667
18.8333
19.0000
19.1667
19.3333
19.5000
19.6667
19.8333
20.0000
20.1667
20.3333
20.5000
20.6667
20.8333
21.0000
21.1667
21.3333
21.5000
21.6667
21.8333
22.0000
22.1667
22.3333
22.5000
22.6667
22.8333
23.0000
23.1667
23.3333
23.5000
23.6667
23.8333
24.0000
24.1667
24.3333
24.5000
24.6667
24.8333
25.0000
25.1667
6.8264
6.8433
6.8592
6.8742
6.8884
6.9020
6.9151
6.9277
6.9400
6.9521
6.9642
6.9763
6.9885
7.0010
7.0139
7.0273
7.0411
7.0555
7.0705
7.0862
7.1026
7.1199
7.1381
7.1573
7.1774
7.1987
7.2211
7.2447
7.2693
7.2946
7.3204
7.3464
7.3722
7.3976
7.4224
7.4463
7.4689
7.4900
7.5094
7.5267
7.5417
7.5543
7.5650
7.5740
7.5817
7.5884
7.5945
7.6003
7.6062
7.6125
7.6196
7.6277
7.6373
7.6484
7.6609
7.6747
0.1047
0.0983
0.0926
0.0877
0.0834
0.0798
0.0769
0.0747
0.0732
0.0724
0.0723
0.0729
0.0742
0.0762
0.0786
0.0814
0.0845
0.0881
0.0921
0.0965
0.1012
0.1064
0.1119
0.1179
0.1242
0.1310
0.1381
0.1449
0.1501
0.1536
0.1554
0.1556
0.1541
0.1510
0.1462
0.1397
0.1315
0.1217
0.1103
0.0971
0.0826
0.0696
0.0586
0.0497
0.0429
0.0381
0.0354
0.0348
0.0362
0.0397
0.0452
0.0528
0.0622
0.0710
0.0791
0.0864
-0.0200
-0.0181
-0.0160
-0.0139
-0.0118
-0.0097
-0.0076
-0.0055
-0.0034
-0.0013
0.0007
0.0028
0.0049
0.0066
0.0078
0.0090
0.0101
0.0113
0.0125
0.0137
0.0149
0.0161
0.0172
0.0184
0.0196
0.0208
0.0220
0.0180
0.0130
0.0080
0.0030
-0.0020
-0.0069
-0.0119
-0.0169
-0.0219
-0.0269
-0.0319
-0.0369
-0.0419
-0.0422
-0.0360
-0.0298
-0.0236
-0.0174
-0.0112
-0.0050
0.0012
0.0073
0.0135
0.0197
0.0259
0.0278
0.0255
0.0231
0.0207
25.3333
25.5000
25.6667
25.8333
26.0000
26.1667
26.3333
26.5000
26.6667
26.8333
27.0000
27.1667
27.3333
27.5000
27.6667
27.8333
28.0000
28.1667
28.3333
28.5000
28.6667
28.8333
29.0000
29.1667
29.3333
29.5000
29.6667
29.8333
30.0000
30.1667
30.3333
30.5000
30.6667
30.8333
31.0000
31.1667
31.3333
31.5000
31.6667
31.8333
32.0000
32.1667
32.3333
32.5000
32.6667
32.8333
33.0000
33.1667
33.3333
33.5000
33.6667
33.8333
34.0000
34.1667
34.3333
34.5000
7.6897
7.7057
7.7225
7.7401
7.7584
7.7771
7.7963
7.8166
7.8389
7.8644
7.8938
7.9282
7.9686
8.0157
8.0687
8.1241
8.1790
8.2299
8.2738
8.3107
8.3467
8.3887
8.4436
8.5187
8.6218
8.7672
8.9800
9.2808
9.6796
10.0958
10.4163
10.6330
10.7824
10.8909
10.9706
11.0298
11.0748
11.1113
11.1429
11.1707
11.1955
11.2182
11.2396
11.2603
11.2806
11.3008
11.3213
11.3423
11.3641
11.3872
11.4116
11.4371
11.4635
11.4903
11.5174
11.5442
0.0929
0.0987
0.1036
0.1077
0.1110
0.1136
0.1175
0.1270
0.1424
0.1636
0.1906
0.2233
0.2619
0.3033
0.3285
0.3342
0.3206
0.2876
0.2373
0.2119
0.2273
0.2837
0.3822
0.5268
0.7225
1.0500
1.5221
2.1152
2.5903
2.2589
1.5887
1.0561
0.7606
0.5531
0.4105
0.3067
0.2385
0.2029
0.1773
0.1569
0.1416
0.1315
0.1260
0.1227
0.1213
0.1217
0.1241
0.1283
0.1344
0.1423
0.1501
0.1560
0.1600
0.1620
0.1620
0.1602
0.0183
0.0159
0.0136
0.0112
0.0088
0.0064
0.0200
0.0374
0.0548
0.0722
0.0896
0.1070
0.1244
0.1047
0.0465
-0.0117
-0.0700
-0.1282
-0.1377
-0.0150
0.1077
0.2304
0.3641
0.5029
0.7420
1.2225
1.5730
2.0393
0.4933
-1.9206
-1.9375
-1.1932
-0.7282
-0.5166
-0.3649
-0.2581
-0.1513
-0.0846
-0.0691
-0.0536
-0.0381
-0.0226
-0.0127
-0.0071
-0.0015
0.0042
0.0098
0.0154
0.0211
0.0263
0.0205
0.0147
0.0089
0.0031
-0.0027
-0.0085
34.6667
34.8333
35.0000
35.1667
35.3333
35.5000
35.6667
35.8333
36.0000
36.1667
36.3333
36.5000
36.6667
36.8333
37.0000
37.1667
37.3333
37.5000
37.6667
37.8333
38.0000
38.1667
38.3333
38.5000
38.6667
38.8333
39.0000
39.1667
39.3333
39.5000
39.6667
39.8333
40.0000
40.1667
40.3333
40.5000
40.6667
40.8333
41.0000
41.1667
41.3333
41.5000
41.6667
41.8333
42.0000
42.1667
42.3333
42.5000
42.6667
42.8333
43.0000
43.1667
43.3333
43.5000
43.6667
43.8333
11.5706
11.5962
11.6207
11.6438
11.6651
11.6843
11.7014
11.7164
11.7295
11.7410
11.7508
11.7593
11.7666
11.7727
11.7779
11.7824
11.7862
11.7896
11.7926
11.7956
11.7985
11.8016
11.8050
11.8089
11.8133
11.8182
11.8234
11.8291
11.8352
11.8417
11.8484
11.8555
11.8629
11.8705
11.8783
11.8863
11.8946
11.9029
11.9114
11.9200
11.9286
11.9373
11.9460
11.9547
11.9634
11.9719
11.9805
11.9888
11.9971
12.0052
12.0131
12.0207
12.0282
12.0355
12.0427
12.0496
0.1564
0.1506
0.1430
0.1334
0.1218
0.1087
0.0960
0.0843
0.0736
0.0638
0.0549
0.0470
0.0400
0.0340
0.0288
0.0247
0.0215
0.0192
0.0178
0.0174
0.0180
0.0194
0.0219
0.0249
0.0277
0.0304
0.0330
0.0354
0.0376
0.0397
0.0416
0.0433
0.0449
0.0464
0.0476
0.0488
0.0497
0.0505
0.0512
0.0517
0.0520
0.0522
0.0522
0.0521
0.0518
0.0513
0.0507
0.0499
0.0490
0.0479
0.0467
0.0455
0.0444
0.0433
0.0422
0.0411
-0.0143
-0.0201
-0.0259
-0.0317
-0.0375
-0.0393
-0.0365
-0.0337
-0.0308
-0.0280
-0.0252
-0.0224
-0.0196
-0.0167
-0.0139
-0.0111
-0.0083
-0.0054
-0.0026
0.0002
0.0030
0.0058
0.0087
0.0088
0.0084
0.0079
0.0074
0.0069
0.0065
0.0060
0.0055
0.0050
0.0046
0.0041
0.0036
0.0031
0.0027
0.0022
0.0017
0.0012
0.0008
0.0003
-0.0002
-0.0007
-0.0011
-0.0016
-0.0021
-0.0026
-0.0030
-0.0035
-0.0036
-0.0035
-0.0034
-0.0033
-0.0032
-0.0031
44.0000
44.1667
44.3333
44.5000
44.6667
44.8333
45.0000
45.1667
45.3333
45.5000
45.6667
45.8333
46.0000
46.1667
46.3333
46.5000
46.6667
46.8333
47.0000
47.1667
47.3333
47.5000
47.6667
47.8333
48.0000
48.1667
48.3333
48.5000
48.6667
48.8333
49.0000
49.1667
49.3333
49.5000
49.6667
49.8333
50.0000
12.0564
12.0630
12.0694
12.0757
12.0818
12.0878
12.0936
12.0993
12.1048
12.1102
12.1155
12.1206
12.1257
12.1306
12.1354
12.1401
12.1448
12.1493
12.1537
12.1581
12.1623
12.1665
12.1706
12.1747
12.1787
12.1826
12.1865
12.1904
12.1941
12.1979
12.2016
12.2053
12.2090
12.2127
12.2163
12.2199
12.2235
0.0401
0.0391
0.0381
0.0372
0.0362
0.0353
0.0345
0.0337
0.0328
0.0321
0.0313
0.0306
0.0299
0.0292
0.0286
0.0280
0.0274
0.0269
0.0263
0.0258
0.0254
0.0249
0.0245
0.0241
0.0238
0.0235
0.0232
0.0229
0.0227
0.0224
0.0223
0.0221
0.0220
0.0219
0.0218
0.0218
0.0217
-0.0031
-0.0030
-0.0029
-0.0028
-0.0027
-0.0026
-0.0025
-0.0025
-0.0024
-0.0023
-0.0022
-0.0021
-0.0020
-0.0020
-0.0019
-0.0018
-0.0017
-0.0016
-0.0015
-0.0014
-0.0014
-0.0013
-0.0012
-0.0011
-0.0010
-0.0009
-0.0008
-0.0008
-0.0007
-0.0006
-0.0005
-0.0004
-0.0003
-0.0003
-0.0002
-0.0001
0.0000
Citric acid
Hydroxide ion
Ascorbic acid
EDTA
1.25749E-09
1.63937E-05
0.004952765
0.034835294
0
0
0
0
0
0
0
0
0
0
1.41194E-13
0.000456023
0.030071735
0
0
0
0
0
0
0
0
0
0
0
S[HiB]
0.039804454
0.030527758
S[H] bound
max. free H
0.114427807
0.004985556
0
0
0.060599493
0.000456023
0
0
Titrant
Strong ACID
Strong BASE
Carbonic ac.
0.1
[B]
Sample
[HB]
20
[H2B]
SS
S[HiB]
0.1
0.1
S[H]
14.0
12.0
10.0
pH
8.0
6.0
4.0
2.0
0.0
0.0
10.0
20.0
30.0
Titrant volume (mL)
Vad
(mL)
0.000
0.897
1.864
2.961
4.198
5.548
6.970
8.440
9.958
11.528
13.142
14.769
16.357
17.845
19.182
20.352
21.384
22.343
23.297
24.292
25.326
26.348
27.280
28.063
28.670
29.112
29.419
29.625
29.761
29.849
29.906
29.944
29.969
29.988
30.004
30.021
30.043
30.073
30.120
30.192
30.304
30.479
30.749
31.161
31.777
32.681
33.983
35.846
38.567
42.781
50.000
simulated or
calculated pH
measured pH
[H]
mol/L
dpH/dV
from regression
2.2808
2.4714
2.6625
2.8606
3.0950
3.2735
3.4831
3.6744
3.8778
4.0878
4.2595
4.4838
4.6824
4.8894
5.0960
5.2953
5.5012
5.6876
5.8781
6.0934
6.3069
6.4902
6.6985
6.8921
7.0866
7.3027
7.5183
7.7039
7.9083
8.1150
8.2506
8.5723
8.6735
8.9492
9.1846
9.2019
9.5546
9.7397
9.9213
10.1181
10.3403
10.5265
10.7167
10.9218
11.1236
11.3351
11.5157
11.7421
11.9191
12.1346
12.3300
2.2699
2.4715
2.6733
2.8750
3.0766
3.2779
3.4790
3.6798
3.8803
4.0807
4.2811
4.4816
4.6823
4.8829
5.0835
5.2841
5.4851
5.6867
5.8889
6.0913
6.2936
6.4957
6.6975
6.8993
7.1010
7.3027
7.5045
7.7066
7.9090
8.1121
8.3161
8.5212
8.7271
8.9322
9.1337
9.3312
9.5273
9.7241
9.9221
10.1213
10.3212
10.5216
10.7223
10.9232
11.1243
11.3254
11.5268
11.7283
11.9302
12.1324
12.3347
5.24E-03
3.38E-03
2.18E-03
1.38E-03
8.04E-04
5.33E-04
3.29E-04
2.12E-04
1.32E-04
8.17E-05
5.50E-05
3.28E-05
2.08E-05
1.29E-05
8.02E-06
5.07E-06
3.15E-06
2.05E-06
1.32E-06
8.06E-07
4.93E-07
3.23E-07
2.00E-07
1.28E-07
8.19E-08
4.98E-08
3.03E-08
1.98E-08
1.24E-08
7.67E-09
5.62E-09
2.68E-09
2.12E-09
1.12E-09
6.54E-10
6.28E-10
2.79E-10
1.82E-10
1.20E-10
7.62E-11
4.57E-11
2.97E-11
1.92E-11
1.20E-11
7.52E-12
4.62E-12
3.05E-12
1.81E-12
1.20E-12
7.34E-13
4.68E-13
2.12E-01
2.05E-01
1.89E-01
1.85E-01
1.60E-01
1.40E-01
1.39E-01
1.32E-01
1.34E-01
1.20E-01
1.22E-01
1.32E-01
1.32E-01
1.46E-01
1.62E-01
1.84E-01
1.97E-01
1.97E-01
2.08E-01
2.11E-01
1.93E-01
2.00E-01
2.34E-01
2.79E-01
3.91E-01
5.76E-01
7.81E-01
1.14E+00
1.84E+00
2.36E+00
4.84E+00
6.74E+00
8.55E+00
1.47E+01
7.63E+00
9.60E+00
1.03E+01
4.75E+00
3.19E+00
2.27E+00
1.42E+00
8.46E-01
5.80E-01
3.96E-01
2.72E-01
1.78E-01
1.29E-01
8.80E-02
5.66E-02
3.59E-02
2.71E-02
tiple Regression
Carbonic acid
HCl
Acid / Base
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
SS
7.033E-02
Charge of B
pKa1
pKa2
pKa3
pKa4
pKa5
pKa6
SS[bases]
0
0
0
0
0
0
1.750E-01
5.442E-03
SS[H] bound
SS[H] max.free H+ (negative results are possible)
5.027E-05
Total
20.00
SS[HiB]
SS [H]
pH
12.775
-p[H]
5.238E-03
2.281
[OH]=Kw/[H]
1.922E-12
11.716
Initial CHcalc
1.803E-01
Initial CHReg
1.805E-01
1.293E-06
[H]=10
S|CHR-CHcalc| W
exponent a
2.000
exponent b
Residues (C
CHReg-CHcalc
6.0E-04
4.0E-04
2.0E-04
0.0E+00
-2.0E-04
-4.0E-04
-6.0E-04
0.0
10.0
Residues (pH - pH
1.0E-01
pHReg-pH
5.0E-02
0.0E+00
-5.0E-02
-1.0E-01
-1.5E-01
40.0
50.0
60.0
0.0
10.0
Ready for 100 real or simulated data points; to expand range to 160, copy all columns, from lin
weighted
CHReg-CHcalc
CHReg
residue
mol/L
mol/L
CHcalc
mol/L
6.440E-08
8.885E-12
6.589E-08
1.352E-07
2.472E-07
1.431E-08
1.222E-08
1.968E-08
3.935E-09
3.272E-08
2.799E-07
2.585E-09
1.102E-11
1.456E-08
3.942E-08
2.260E-08
3.569E-08
9.438E-11
1.420E-08
5.686E-10
2.263E-08
3.408E-09
7.277E-11
2.662E-09
5.963E-09
5.640E-15
1.175E-09
2.058E-11
6.090E-13
3.970E-12
9.866E-10
2.069E-10
1.335E-10
7.869E-12
6.829E-11
5.219E-10
5.161E-11
3.582E-11
2.200E-13
7.931E-12
7.237E-10
1.117E-10
3.220E-10
4.864E-11
1.929E-11
9.528E-09
2.291E-08
6.786E-08
7.917E-08
6.367E-09
6.234E-08
2.538E-04
-2.981E-06
-2.567E-04
-3.677E-04
4.972E-04
-1.196E-04
1.105E-04
-1.403E-04
-6.273E-05
1.809E-04
-5.291E-04
5.084E-05
3.319E-06
1.207E-04
1.985E-04
1.503E-04
1.889E-04
9.715E-06
-1.191E-04
2.385E-05
1.504E-04
-5.838E-05
8.530E-06
-5.160E-05
-7.722E-05
7.510E-08
3.428E-05
-4.537E-06
-7.804E-07
1.992E-06
-3.141E-05
1.438E-05
-1.155E-05
2.805E-06
8.263E-06
-2.285E-05
7.184E-06
5.985E-06
-4.691E-07
-2.816E-06
2.690E-05
1.057E-05
-1.794E-05
-6.975E-06
-4.392E-06
9.761E-05
-1.514E-04
2.605E-04
-2.814E-04
7.979E-05
-2.497E-04
1.81E-01
1.73E-01
1.65E-01
1.57E-01
1.49E-01
1.41E-01
1.34E-01
1.27E-01
1.21E-01
1.15E-01
1.09E-01
1.04E-01
9.93E-02
9.54E-02
9.21E-02
8.95E-02
8.72E-02
8.53E-02
8.34E-02
8.15E-02
7.97E-02
7.79E-02
7.64E-02
7.51E-02
7.42E-02
7.35E-02
7.31E-02
7.28E-02
7.26E-02
7.24E-02
7.23E-02
7.23E-02
7.23E-02
7.22E-02
7.22E-02
7.22E-02
7.21E-02
7.21E-02
7.20E-02
7.19E-02
7.18E-02
7.15E-02
7.11E-02
7.06E-02
6.97E-02
6.85E-02
6.69E-02
6.46E-02
6.16E-02
5.75E-02
5.16E-02
1.80E-01
1.73E-01
1.65E-01
1.58E-01
1.49E-01
1.41E-01
1.34E-01
1.27E-01
1.21E-01
1.14E-01
1.09E-01
1.04E-01
9.93E-02
9.53E-02
9.19E-02
8.93E-02
8.71E-02
8.53E-02
8.35E-02
8.15E-02
7.95E-02
7.80E-02
7.64E-02
7.52E-02
7.43E-02
7.35E-02
7.30E-02
7.28E-02
7.26E-02
7.24E-02
7.24E-02
7.23E-02
7.23E-02
7.22E-02
7.22E-02
7.22E-02
7.21E-02
7.21E-02
7.20E-02
7.19E-02
7.17E-02
7.15E-02
7.12E-02
7.06E-02
6.97E-02
6.84E-02
6.70E-02
6.44E-02
6.19E-02
5.74E-02
5.18E-02
62
31
Citric acid
Hydroxide ion
Ascorbic acid
EDTA
Phosphoric acid
-3
3.128
4.761
6.396
-1
15.745
-2
4.100
11.790
-4
0.000
1.500
2.000
2.680
6.110
10.170
-3
2.148
7.199
12.350
initial pH
0.000000
A
b
0.000
W =|dpH/dVol|
20.0
30.0
40.0
50.0
60.0
20.0
30.0
40.0
50.0
60.0
points; to expand range to 160, copy all columns, from line 141 down to 200
Dill. Titrant
0.0000
0.0429
0.0853
0.1289
0.1735
0.2172
0.2584
0.2968
0.3324
0.3656
0.3965
0.4248
0.4499
0.4715
0.4896
0.5044
0.5167
0.5277
0.5381
0.5485
0.5588
0.5685
0.5770
0.5839
0.5891
0.5928
0.5953
0.5970
0.5981
0.5988
0.5992
0.5995
0.5998
0.5999
0.6000
0.6002
0.6003
0.6006
0.6010
0.6015
0.6024
0.6038
0.6059
0.6091
0.6137
0.6204
0.6295
0.6419
0.6585
0.6814
0.7143
Dil Titrand
1.0000
0.9571
0.9147
0.8711
0.8265
0.7828
0.7416
0.7032
0.6676
0.6344
0.6035
0.5752
0.5501
0.5285
0.5104
0.4956
0.4833
0.4723
0.4619
0.4515
0.4412
0.4315
0.4230
0.4161
0.4109
0.4072
0.4047
0.4030
0.4019
0.4012
0.4008
0.4005
0.4002
0.4001
0.4000
0.3998
0.3997
0.3994
0.3990
0.3985
0.3976
0.3962
0.3941
0.3909
0.3863
0.3796
0.3705
0.3581
0.3415
0.3186
0.2857
den1
den2
den3
Citric acid
Hydroxide ion
Ascorbic acid
3.165E+07
9.072E+06
2.669E+06
7.812E+05
1.947E+05
7.119E+04
2.318E+04
8.784E+03
3.298E+03
1.267E+03
6.045E+02
2.442E+02
1.164E+02
5.742E+01
3.028E+01
1.732E+01
1.028E+01
6.717E+00
4.547E+00
3.101E+00
2.263E+00
1.820E+00
1.504E+00
1.321E+00
1.205E+00
1.124E+00
1.076E+00
1.049E+00
1.031E+00
1.019E+00
1.014E+00
1.007E+00
1.005E+00
1.003E+00
1.002E+00
1.002E+00
1.001E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
2.912E+13
1.878E+13
1.209E+13
7.663E+12
4.467E+12
2.961E+12
1.828E+12
1.176E+12
7.365E+11
4.541E+11
3.058E+11
1.825E+11
1.155E+11
7.172E+10
4.456E+10
2.816E+10
1.753E+10
1.141E+10
7.360E+09
4.483E+09
2.742E+09
1.798E+09
1.113E+09
7.127E+08
4.554E+08
2.769E+08
1.685E+08
1.099E+08
6.866E+07
4.266E+07
3.122E+07
1.488E+07
1.179E+07
6.248E+06
3.634E+06
3.492E+06
1.550E+06
1.012E+06
6.663E+05
4.236E+05
2.539E+05
1.654E+05
1.067E+05
6.656E+04
4.182E+04
2.570E+04
1.696E+04
1.007E+04
6.698E+03
4.079E+03
2.601E+03
2.162E+11
9.063E+10
3.808E+10
1.560E+10
5.508E+09
2.531E+09
1.042E+09
4.782E+08
2.179E+08
1.022E+08
5.742E+07
2.860E+07
1.616E+07
9.247E+06
5.442E+06
3.323E+06
2.022E+06
1.299E+06
8.299E+05
5.023E+05
3.061E+05
2.003E+05
1.238E+05
7.917E+04
5.057E+04
3.073E+04
1.870E+04
1.220E+04
7.617E+03
4.733E+03
3.464E+03
1.652E+03
1.309E+03
6.941E+02
4.041E+02
3.883E+02
1.730E+02
1.133E+02
7.490E+01
4.798E+01
2.917E+01
1.934E+01
1.284E+01
8.383E+00
5.638E+00
3.850E+00
2.881E+00
2.117E+00
1.743E+00
1.452E+00
1.288E+00
Carbonic acid
HCl
Strong ACID
Strong BASE
Carbonic ac.
-2
6.352
10.329
-1
-7.000
-1
-7
-1
15.745
-2
6.352
10.329
Titrand ions
Titrant ions
0.000000
0.000000
0.000000
0.000000
pKw
13.9970
e pH sensor calibration
7.0000
100.00%
Davies equation parameters
for activity coefficient estimation
1/2.SCkzk = Ik
0.000000
0.000000
Minimum
SzjCj
0.000204
0.100029
0.000102
0.050014
2
1/2.SCjzj
= Ij
0.509
of counter-ions
0.300
for acids/bases
Counterion charge
Acid/base ions
SziCi
-0.005442
-0.040064
= Ii
0.002737
0.039990
Total I
I = Ii+Ij+Ik+IH
0.005458
0.119986
I applied
I applied
0.000000
0.000000
Activity coeff.
gH
1.000
1.000
[H ]
5.2381E-03
1.6792E-13
1.9223E-12
5.9964E-02
2.281
12.775
at given pH
1/2.SCizi
[OH ]
pH
"p[H]"
Color coding
D o
n o t
c h a n g e
Change criteriously
Fill out, change or leave blank
den4
den5
den6
den7
den1 titrant
EDTA
Phosphoric acid
Carbonic acid
HCl
Strong ACID
2.635E+12
7.001E+11
2.059E+11
6.356E+10
1.744E+10
6.868E+09
2.399E+09
9.448E+08
3.579E+08
1.334E+08
6.002E+07
2.134E+07
8.615E+06
3.382E+06
1.348E+06
5.652E+05
2.365E+05
1.108E+05
5.300E+04
2.433E+04
1.194E+04
6.780E+03
3.727E+03
2.210E+03
1.341E+03
7.850E+02
4.669E+02
3.010E+02
1.866E+02
1.156E+02
8.466E+01
4.074E+01
3.245E+01
1.765E+01
1.068E+01
1.030E+01
5.126E+00
3.694E+00
2.773E+00
2.127E+00
1.676E+00
1.440E+00
1.284E+00
1.177E+00
1.111E+00
1.068E+00
1.045E+00
1.027E+00
1.018E+00
1.011E+00
1.007E+00
1.687E+15
5.956E+14
2.188E+14
8.031E+13
2.544E+13
1.080E+13
4.004E+12
1.633E+12
6.332E+11
2.391E+11
1.081E+11
3.839E+10
1.537E+10
5.932E+09
2.296E+09
9.205E+08
3.593E+08
1.539E+08
6.502E+07
2.483E+07
9.720E+06
4.429E+06
1.867E+06
8.688E+05
4.210E+05
1.993E+05
1.004E+05
5.812E+04
3.305E+04
1.927E+04
1.369E+04
6.249E+03
4.908E+03
2.562E+03
1.480E+03
1.421E+03
6.281E+02
4.098E+02
2.698E+02
1.718E+02
1.033E+02
6.763E+01
4.399E+01
2.781E+01
1.784E+01
1.135E+01
7.829E+00
5.054E+00
3.697E+00
2.642E+00
2.047E+00
1.316E+12
5.473E+11
2.271E+11
9.119E+10
3.099E+10
1.362E+10
5.192E+09
2.153E+09
8.448E+08
3.219E+08
1.464E+08
5.238E+07
2.115E+07
8.260E+06
3.254E+06
1.339E+06
5.445E+05
2.460E+05
1.123E+05
4.841E+04
2.220E+04
1.192E+04
6.195E+03
3.524E+03
2.070E+03
1.182E+03
6.917E+02
4.416E+02
2.718E+02
1.675E+02
1.223E+02
5.845E+01
4.645E+01
2.504E+01
1.497E+01
1.442E+01
6.952E+00
4.886E+00
3.557E+00
2.625E+00
1.974E+00
1.635E+00
1.410E+00
1.255E+00
1.160E+00
1.099E+00
1.065E+00
1.039E+00
1.026E+00
1.016E+00
1.010E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
1.000E+00
Citric acid
Charge of B
-3
2.489E+06
1.435E+11
1.928E+14
1E-10
1E-10
1E-10
bp1
bp2
bp3
bp4
bp5
bp6
bp1
bp2
bp3
-2
6.166E+11
7.762E+15
1E-10
1E-10
1E-10
1E-10
Szi Ci
Phosphoric
acid
-4
1.479E+10
1.905E+16
9.120E+18
9.120E+20
2.884E+22
2.884E+22
-3
2.239E+12
3.540E+19
4.977E+21
1E-10
1E-10
1E-10
5.56E+15
6.17E+11
7.76E+15
1.93E+14
bp4
bp5
bp6
SziCi
EDTA
0.000000
1.48E+10
1.91E+16
2.24E+12
3.54E+19
9.12E+18
4.98E+21
9.12E+20
2.88E+22
2.88E+22
-0.004986
0.000000
-0.000456
0.000000
0.000000
0.005018
0.000000
0.000456
0.000000
0.000000
den2 titrant
den3 titrant
h1
Strong BASE
Carbonic ac.
Citric acid
2.912E+13
1.878E+13
1.209E+13
7.663E+12
4.467E+12
2.961E+12
1.828E+12
1.176E+12
7.365E+11
4.541E+11
3.058E+11
1.825E+11
1.155E+11
7.172E+10
4.456E+10
2.816E+10
1.753E+10
1.141E+10
7.360E+09
4.483E+09
2.742E+09
1.798E+09
1.113E+09
7.127E+08
4.554E+08
2.769E+08
1.685E+08
1.099E+08
6.866E+07
4.266E+07
3.122E+07
1.488E+07
1.179E+07
6.248E+06
3.634E+06
3.492E+06
1.550E+06
1.012E+06
6.663E+05
4.236E+05
2.539E+05
1.654E+05
1.067E+05
6.656E+04
4.182E+04
2.570E+04
1.696E+04
1.007E+04
6.698E+03
4.079E+03
2.601E+03
1.316E+12
5.473E+11
2.271E+11
9.119E+10
3.099E+10
1.362E+10
5.192E+09
2.153E+09
8.448E+08
3.219E+08
1.464E+08
5.238E+07
2.115E+07
8.260E+06
3.254E+06
1.339E+06
5.445E+05
2.460E+05
1.123E+05
4.841E+04
2.220E+04
1.192E+04
6.195E+03
3.524E+03
2.070E+03
1.182E+03
6.917E+02
4.416E+02
2.718E+02
1.675E+02
1.223E+02
5.845E+01
4.645E+01
2.504E+01
1.497E+01
1.442E+01
6.952E+00
4.886E+00
3.557E+00
2.625E+00
1.974E+00
1.635E+00
1.410E+00
1.255E+00
1.160E+00
1.099E+00
1.065E+00
1.039E+00
1.026E+00
1.016E+00
1.010E+00
2.875
2.818
2.741
2.642
2.503
2.391
2.260
2.148
2.035
1.921
1.823
1.685
1.553
1.413
1.278
1.158
1.043
0.942
0.836
0.708
0.574
0.459
0.339
0.245
0.171
0.111
0.070
0.047
0.030
0.019
0.014
0.007
0.005
0.003
0.002
0.002
0.001
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
h2
h3
1.985
1.977
1.965
1.946
1.910
1.870
1.805
1.727
1.625
1.507
1.409
1.292
1.207
1.140
1.092
1.060
1.038
1.025
1.016
1.010
1.006
1.004
1.003
1.002
1.001
1.001
1.000
1.000
1.000
1.000
1.000
0.999
0.999
0.999
0.998
0.997
0.994
0.991
0.987
0.979
0.966
0.948
0.922
0.881
0.823
0.740
0.653
0.528
0.426
0.311
0.224
h4
EDTA
3.149
2.895
2.675
2.486
2.316
2.221
2.142
2.092
2.055
2.029
2.012
1.992
1.974
1.949
1.916
1.870
1.804
1.727
1.631
1.510
1.389
1.294
1.205
1.141
1.095
1.059
1.035
1.021
1.010
1.001
0.995
0.979
0.972
0.945
0.907
0.904
0.805
0.729
0.639
0.530
0.403
0.306
0.221
0.150
0.100
0.064
0.043
0.026
0.018
0.011
0.007
HCl
Strong ACID
Strong BASE
Carbonic ac.
Acid / Base
-2
2.133E+10
4.797E+16
1E-10
1E-10
1E-10
1E-10
-1
1.000E-07
1E-10
1E-10
1E-10
1E-10
1E-10
-1
1.000E-07
1E-10
-1
5.559E+15
1E-10
-2
2.133E+10
4.797E+16
Charge of B
pKa1 = logKpn
pKa2 = logKpn-1
pKa3 = logKpn-2
pKa4 = logKpn-3
pKa5 = logKpn-4
pKa6 = logKpn-5
and g H =
2.13E+10
4.80E+16
1.000
1.00E-07
1.00E-07
recalc for g H =
5.56E+15
0.000000
0.000000
0.000000
-0.000107
-0.039957
0.000000
0.000000
0.000000
0.000107
0.079872
Kw
Kw
1.007E-14
1.007E-14
Kw
1.007E-14
+
1.000
2.13E+10
4.80E+16
h5
Phosphoric
acid
2.424
2.322
2.234
2.162
2.101
2.070
2.044
2.029
2.018
2.011
2.007
2.003
2.000
1.997
1.993
1.988
1.981
1.970
1.955
1.927
1.886
1.837
1.760
1.670
1.564
1.441
1.324
1.238
1.163
1.108
1.081
1.040
1.032
1.017
1.010
1.009
1.003
1.000
0.998
0.995
0.991
0.986
0.978
0.964
0.944
0.912
0.872
0.802
0.730
0.622
0.512
h6
h7
h1 titrant
h2 titrant
h3 titrant
Carbonic acid
HCl
Strong ACID
Strong BASE
Carbonic ac.
2.000
2.000
2.000
2.000
1.999
1.999
1.999
1.998
1.997
1.995
1.992
1.987
1.979
1.967
1.947
1.919
1.876
1.822
1.749
1.645
1.526
1.421
1.310
1.223
1.155
1.100
1.062
1.040
1.023
1.011
1.004
0.989
0.983
0.962
0.935
0.932
0.857
0.796
0.719
0.619
0.494
0.388
0.291
0.203
0.138
0.090
0.061
0.037
0.025
0.015
0.010
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
1.000
2.000
2.000
2.000
2.000
1.999
1.999
1.999
1.998
1.997
1.995
1.992
1.987
1.979
1.967
1.947
1.919
1.876
1.822
1.749
1.645
1.526
1.421
1.310
1.223
1.155
1.100
1.062
1.040
1.023
1.011
1.004
0.989
0.983
0.962
0.935
0.932
0.857
0.796
0.719
0.619
0.494
0.388
0.291
0.203
0.138
0.090
0.061
0.037
0.025
0.015
0.010
Citric acid
-3
3.128
4.761
6.396
-1
15.745
-2
4.100
11.790
EDTA
-4
0.000
1.500
2.000
2.680
6.110
10.170
Phosphoric
acid
-3
2.148
7.199
12.350
Carbonic acid
HCl
-2
6.352
10.329
-1
-7.000
I1
Citric acid
2.509E-03
3.509E-03
4.781E-03
6.359E-03
8.508E-03
1.008E-02
1.197E-02
1.362E-02
1.550E-02
1.773E-02
1.969E-02
2.300E-02
2.613E-02
2.955E-02
3.289E-02
3.595E-02
3.912E-02
4.205E-02
4.535E-02
4.963E-02
5.412E-02
5.773E-02
6.157E-02
6.442E-02
6.663E-02
6.846E-02
6.966E-02
7.030E-02
7.080E-02
7.112E-02
7.123E-02
7.146E-02
7.148E-02
7.155E-02
7.158E-02
7.156E-02
7.156E-02
7.153E-02
7.146E-02
7.137E-02
7.121E-02
7.097E-02
7.059E-02
7.002E-02
6.919E-02
6.800E-02
6.636E-02
6.415E-02
6.117E-02
5.706E-02
5.118E-02
I2
I3
I4
EDTA
I5
Phosphoric
acid
I6
I7
Carbonic acid
HCl
I1 titrant
Strong
ACID
I2 titrant
Strong
BASE
0.000E+00
1.143E-16
3.525E-16
8.413E-16
1.942E-15
3.667E-15
7.071E-15
1.261E-14
2.257E-14
4.026E-14
6.483E-14
1.164E-13
1.948E-13
3.287E-13
5.493E-13
8.954E-13
1.474E-12
2.312E-12
3.656E-12
6.117E-12
1.019E-11
1.581E-11
2.592E-11
4.096E-11
6.467E-11
1.070E-10
1.766E-10
2.715E-10
4.356E-10
7.018E-10
9.599E-10
2.014E-09
2.544E-09
4.800E-09
8.255E-09
8.593E-09
1.936E-08
2.967E-08
4.510E-08
7.101E-08
1.186E-07
1.825E-07
2.838E-07
4.575E-07
7.338E-07
1.207E-06
1.856E-06
3.188E-06
4.916E-06
8.353E-06
1.373E-05
I3 titrant I Ac./Base
Carbonic calculated
ac.
mol/L
5.356E-03
5.533E-03
6.361E-03
7.772E-03
1.004E-02
1.189E-02
1.433E-02
1.665E-02
1.938E-02
2.255E-02
2.516E-02
2.922E-02
3.279E-02
3.650E-02
3.997E-02
4.307E-02
4.622E-02
4.908E-02
5.229E-02
5.645E-02
6.082E-02
6.429E-02
6.801E-02
7.076E-02
7.290E-02
7.467E-02
7.583E-02
7.646E-02
7.693E-02
7.724E-02
7.736E-02
7.759E-02
7.761E-02
7.769E-02
7.774E-02
7.771E-02
7.778E-02
7.781E-02
7.784E-02
7.790E-02
7.801E-02
7.812E-02
7.827E-02
7.854E-02
7.889E-02
7.940E-02
7.956E-02
8.015E-02
7.954E-02
7.884E-02
7.647E-02
IA/B/CI
calculated
mol/L
5.458E-03
7.777E-03
1.072E-02
1.431E-02
1.881E-02
2.283E-02
2.733E-02
3.156E-02
3.608E-02
4.090E-02
4.506E-02
5.053E-02
5.535E-02
6.014E-02
6.451E-02
6.834E-02
7.211E-02
7.552E-02
7.925E-02
8.393E-02
8.881E-02
9.277E-02
9.691E-02
1.000E-01
1.024E-01
1.044E-01
1.056E-01
1.064E-01
1.069E-01
1.072E-01
1.074E-01
1.076E-01
1.076E-01
1.077E-01
1.078E-01
1.078E-01
1.079E-01
1.079E-01
1.079E-01
1.080E-01
1.082E-01
1.084E-01
1.086E-01
1.090E-01
1.096E-01
1.105E-01
1.111E-01
1.123E-01
1.125E-01
1.130E-01
1.122E-01
IA/B/CI
applied
mol/L
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
I total
applied
mol/L
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
g H+
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
1.0000
pH - pHRNL
6.13E+01
0.0109
-0.0001
-0.0108
-0.0144
0.0184
-0.0044
0.0041
-0.0054
-0.0024
0.0072
-0.0216
0.0022
0.0001
0.0065
0.0125
0.0112
0.0160
0.0009
-0.0108
0.0021
0.0133
-0.0055
0.0009
-0.0072
-0.0144
0.0000
0.0138
-0.0027
-0.0007
0.0029
-0.0654
0.0511
-0.0536
0.0171
0.0509
-0.1293
0.0273
0.0156
-0.0008
-0.0032
0.0191
0.0049
-0.0056
-0.0014
-0.0006
0.0097
-0.0111
0.0138
-0.0111
0.0022
-0.0047
dpH/dV
FALSE
Evaluation FALSEdpH/dV
FALSE
Evaluation with
TRUE
dpH/dV
TRUE
Regression FALSEdpH/dV
TRUE
dpH/dV
FALSE
14
12
pH
10
8
6
4
2
0
0.0
10.0
20.0
30.0
ivatives overlay
Enable macros first; instructions at cell A22 of module calc_pH
Update curve(s) after any change in Simulation, Evaluation or Regression
How to change the axis of a curve
Data ID on curves
30.0
40.0
50.0
60.0
Vol
0
2.157092
4.096038
5.753962
7.077085
8.060804
8.749248
9.209543
9.507818
9.697492
9.817289
9.893679
9.944385
9.981525
10.01413
10.05016
10.09834
10.17008
10.28169
10.45703
10.72979
11.14388
11.74754
12.57654
13.62577
14.82449
16.04376
17.14579
18.04054
18.7059
19.16921
19.47751
19.67696
19.80437
19.88633
19.94124
19.98198
20.0184
20.05944
20.11524
20.19954
20.333
20.54802
Simulation
pH
1.805933
2.020435
2.234938
2.449441
2.663943
2.878446
3.092948
3.307451
3.521954
3.736456
3.950959
4.165461
4.379964
4.594467
4.808969
5.023472
5.237975
5.452477
5.66698
5.881482
6.095985
6.310488
6.52499
6.739493
6.953995
7.168498
7.383001
7.597503
7.812006
8.026508
8.241011
8.455514
8.670016
8.884519
9.099022
9.313524
9.528027
9.742529
9.957032
10.17153
10.38604
10.60054
10.81504
Vol
dpH/dVol
20.89602
21.45862
22.36465
23.81828
26.15467
29.98322
36.64381
50
11.02955
11.24405
11.45855
11.67305
11.88756
12.10206
12.31656
12.53106
Vol
Evaluation
pH
Vol
dpH/dVol
Vol
0
0.896889
1.864139
2.96058
4.198095
5.548356
6.970387
8.440223
9.957523
11.52783
13.14204
14.76872
16.35673
17.84478
19.18178
20.35167
21.38416
22.34269
23.297
24.29235
25.32645
26.34764
27.28033
28.06266
28.66975
29.11192
29.41908
29.62548
29.76118
29.84931
29.90639
29.94375
29.96912
29.98786
30.00398
30.02098
30.04253
30.07328
30.11979
30.19183
30.30418
30.47903
30.74903
7.166667
7.333333
7.5
7.666667
7.833333
8
8.166667
8.333333
8.5
8.666667
8.833333
9
9.166667
9.333333
9.5
9.666667
9.833333
10
10.16667
10.33333
10.5
10.66667
10.83333
11
11.16667
11.33333
11.5
11.66667
11.83333
12
12.16667
12.33333
12.5
12.66667
12.83333
13
13.16667
13.33333
13.5
13.66667
13.83333
14
14.16667
14.33333
14.5
14.66667
14.83333
15
15.16667
15.33333
15.5
15.66667
15.83333
16
16.16667
16.33333
2.970478
3.014745
3.061049
3.108776
3.156604
3.203037
3.246577
3.285729
3.319613
3.350983
3.383918
3.422646
3.477306
3.565772
3.706113
3.91601
4.220426
4.619836
5.031093
5.345139
5.56327
5.716865
5.833781
5.933998
6.019219
6.087287
6.138817
6.178756
6.212433
6.24515
6.280039
6.316381
6.353059
6.388957
6.422959
6.453974
6.481649
6.506484
6.529022
6.549808
6.569388
6.588307
6.607109
6.626332
6.646214
6.6666
6.687313
6.708173
6.729
6.749614
6.769838
6.78949
6.808392
6.826365
6.843272
6.859175
7.083333
7.25
7.416667
7.583333
7.75
7.916667
8.083333
8.25
8.416667
8.583333
8.75
8.916667
9.083333
9.25
9.416667
9.583333
9.75
9.916667
10.08333
10.25
10.41667
10.58333
10.75
10.91667
11.08333
11.25
11.41667
11.58333
11.75
11.91667
12.08333
12.25
12.41667
12.58333
12.75
12.91667
13.08333
13.25
13.41667
13.58333
13.75
13.91667
14.08333
14.25
14.41667
14.58333
14.75
14.91667
15.08333
15.25
15.41667
15.58333
15.75
15.91667
16.08333
16.25
0.250771
0.2656
0.277823
0.286363
0.286969
0.278596
0.261243
0.234909
0.203303
0.188222
0.197608
0.23237
0.327958
0.530796
0.842048
1.259383
1.826496
2.396462
2.467542
1.884272
1.308786
0.921573
0.701497
0.601301
0.511326
0.408411
0.309176
0.239637
0.20206
0.1963
0.209336
0.218051
0.220069
0.215389
0.204013
0.186087
0.166052
0.149005
0.135228
0.12472
0.117482
0.113513
0.112813
0.115337
0.119288
0.122321
0.124277
0.125157
0.124961
0.123688
0.121339
0.117914
0.113413
0.107835
0.101443
0.095417
31.16063
31.77711
32.68142
33.98339
35.84641
38.56744
42.78071
50
16.5
16.66667
16.83333
17
17.16667
17.33333
17.5
17.66667
17.83333
18
18.16667
18.33333
18.5
18.66667
18.83333
19
19.16667
19.33333
19.5
19.66667
19.83333
20
20.16667
20.33333
20.5
20.66667
20.83333
21
21.16667
21.33333
21.5
21.66667
21.83333
22
22.16667
22.33333
22.5
22.66667
22.83333
23
23.16667
23.33333
23.5
23.66667
23.83333
24
24.16667
24.33333
24.5
24.66667
24.83333
25
25.16667
25.33333
25.5
25.66667
6.874189
6.888432
6.902019
6.915066
6.92769
6.940006
6.952132
6.964182
6.976274
6.988523
7.001046
7.013933
7.027253
7.041072
7.055454
7.070466
7.086173
7.10264
7.119935
7.138122
7.157267
7.177435
7.198693
7.221107
7.244708
7.269311
7.294638
7.320411
7.346354
7.372188
7.397637
7.422422
7.446266
7.468892
7.490021
7.509377
7.526682
7.541667
7.554327
7.564988
7.573994
7.581687
7.588413
7.594515
7.600337
7.606224
7.612519
7.619565
7.627708
7.637282
7.648392
7.660917
7.674725
7.689684
7.70566
7.722523
16.41667
16.58333
16.75
16.91667
17.08333
17.25
17.41667
17.58333
17.75
17.91667
18.08333
18.25
18.41667
18.58333
18.75
18.91667
19.08333
19.25
19.41667
19.58333
19.75
19.91667
20.08333
20.25
20.41667
20.58333
20.75
20.91667
21.08333
21.25
21.41667
21.58333
21.75
21.91667
22.08333
22.25
22.41667
22.58333
22.75
22.91667
23.08333
23.25
23.41667
23.58333
23.75
23.91667
24.08333
24.25
24.41667
24.58333
24.75
24.91667
25.08333
25.25
25.41667
25.58333
0.090088
0.085456
0.081521
0.078283
0.075742
0.073899
0.072753
0.072303
0.072551
0.073496
0.075134
0.077326
0.079921
0.08291
0.086293
0.09007
0.094242
0.098807
0.103767
0.109121
0.114869
0.121012
0.127548
0.134479
0.141608
0.147617
0.151962
0.154642
0.155656
0.155006
0.152691
0.14871
0.143064
0.135754
0.126778
0.116137
0.103831
0.089906
0.075964
0.063966
0.054032
0.046162
0.040355
0.036613
0.034934
0.035319
0.037768
0.042281
0.048858
0.05744
0.066662
0.075152
0.082848
0.089751
0.09586
0.101176
25.83333
26
26.16667
26.33333
26.5
26.66667
26.83333
27
27.16667
27.33333
27.5
27.66667
27.83333
28
28.16667
28.33333
28.5
28.66667
28.83333
29
29.16667
29.33333
29.5
29.66667
29.83333
30
30.16667
30.33333
30.5
30.66667
30.83333
31
31.16667
31.33333
31.5
31.66667
31.83333
32
32.16667
32.33333
32.5
32.66667
32.83333
33
33.16667
33.33333
33.5
33.66667
33.83333
34
34.16667
34.33333
34.5
34.66667
34.83333
35
7.740139
7.758377
7.777105
7.796285
7.816578
7.838949
7.864365
7.893794
7.928202
7.968556
8.015741
8.068651
8.124144
8.178984
8.229936
8.273798
8.310661
8.346689
8.3887
8.44356
8.518654
8.621767
8.767218
8.979965
9.280774
9.679624
10.09585
10.41627
10.63304
10.78242
10.89093
10.97056
11.02985
11.0748
11.11126
11.14288
11.17067
11.19547
11.21816
11.23958
11.26028
11.28058
11.30081
11.32127
11.34227
11.36413
11.38717
11.41157
11.43711
11.46347
11.49032
11.51735
11.54423
11.57064
11.59625
11.62075
25.75
25.91667
26.08333
26.25
26.41667
26.58333
26.75
26.91667
27.08333
27.25
27.41667
27.58333
27.75
27.91667
28.08333
28.25
28.41667
28.58333
28.75
28.91667
29.08333
29.25
29.41667
29.58333
29.75
29.91667
30.08333
30.25
30.41667
30.58333
30.75
30.91667
31.08333
31.25
31.41667
31.58333
31.75
31.91667
32.08333
32.25
32.41667
32.58333
32.75
32.91667
33.08333
33.25
33.41667
33.58333
33.75
33.91667
34.08333
34.25
34.41667
34.58333
34.75
34.91667
0.105698
0.109428
0.112363
0.115082
0.121757
0.134227
0.152498
0.176572
0.206448
0.242126
0.283109
0.317462
0.332958
0.329041
0.305712
0.263168
0.221178
0.21617
0.252067
0.329159
0.450567
0.618678
0.872704
1.276483
1.804852
2.393102
2.497336
1.922549
1.300609
0.896254
0.651075
0.477802
0.355719
0.269684
0.218813
0.189725
0.166698
0.148832
0.136128
0.128487
0.124203
0.121841
0.121357
0.12275
0.126021
0.13117
0.138196
0.146401
0.153247
0.158157
0.161132
0.162171
0.161276
0.158444
0.153678
0.146976
35.16667
35.33333
35.5
35.66667
35.83333
36
36.16667
36.33333
36.5
36.66667
36.83333
37
37.16667
37.33333
37.5
37.66667
37.83333
38
38.16667
38.33333
38.5
38.66667
38.83333
39
39.16667
39.33333
39.5
39.66667
39.83333
40
40.16667
40.33333
40.5
40.66667
40.83333
41
41.16667
41.33333
41.5
41.66667
41.83333
42
42.16667
42.33333
42.5
42.66667
42.83333
43
43.16667
43.33333
43.5
43.66667
43.83333
44
44.16667
44.33333
11.6438
11.6651
11.68431
11.70136
11.71638
11.72953
11.74096
11.75084
11.75932
11.76656
11.77271
11.77793
11.78238
11.78621
11.78958
11.79265
11.79557
11.79851
11.80161
11.80504
11.80893
11.81331
11.81816
11.82344
11.82914
11.83522
11.84166
11.84843
11.85551
11.86286
11.87047
11.87831
11.88635
11.89456
11.90292
11.9114
11.91997
11.92862
11.9373
11.94601
11.9547
11.96336
11.97195
11.98045
11.98884
11.99709
12.00517
12.01305
12.02074
12.02823
12.03554
12.04266
12.0496
12.05637
12.06297
12.0694
35.08333
35.25
35.41667
35.58333
35.75
35.91667
36.08333
36.25
36.41667
36.58333
36.75
36.91667
37.08333
37.25
37.41667
37.58333
37.75
37.91667
38.08333
38.25
38.41667
38.58333
38.75
38.91667
39.08333
39.25
39.41667
39.58333
39.75
39.91667
40.08333
40.25
40.41667
40.58333
40.75
40.91667
41.08333
41.25
41.41667
41.58333
41.75
41.91667
42.08333
42.25
42.41667
42.58333
42.75
42.91667
43.08333
43.25
43.41667
43.58333
43.75
43.91667
44.08333
44.25
0.138338
0.127765
0.115306
0.102276
0.090115
0.078894
0.068614
0.059274
0.050875
0.043417
0.036899
0.031321
0.026685
0.022989
0.020233
0.018418
0.017544
0.01761
0.018617
0.020565
0.023356
0.026296
0.02908
0.031705
0.034173
0.036482
0.038633
0.040626
0.042462
0.044139
0.045658
0.047019
0.048222
0.049267
0.050154
0.050883
0.051453
0.051866
0.052121
0.052217
0.052156
0.051937
0.051559
0.051024
0.05033
0.049478
0.048469
0.047313
0.046125
0.044964
0.043832
0.042728
0.041653
0.040605
0.039586
0.038596
44.5
44.66667
44.83333
45
45.16667
45.33333
45.5
45.66667
45.83333
46
46.16667
46.33333
46.5
46.66667
46.83333
47
47.16667
47.33333
47.5
47.66667
47.83333
48
48.16667
48.33333
48.5
48.66667
48.83333
49
49.16667
49.33333
49.5
49.66667
49.83333
50
12.07567
12.08179
12.08775
12.09357
12.09925
12.10479
12.1102
12.11548
12.12064
12.12568
12.13061
12.13543
12.14014
12.14476
12.14928
12.15372
12.15806
12.16233
12.16652
12.17064
12.1747
12.17869
12.18263
12.18651
12.19035
12.19415
12.19791
12.20163
12.20533
12.209
12.21265
12.21629
12.21992
12.22355
44.41667
44.58333
44.75
44.91667
45.08333
45.25
45.41667
45.58333
45.75
45.91667
46.08333
46.25
46.41667
46.58333
46.75
46.91667
47.08333
47.25
47.41667
47.58333
47.75
47.91667
48.08333
48.25
48.41667
48.58333
48.75
48.91667
49.08333
49.25
49.41667
49.58333
49.75
49.91667
0.037633
0.036699
0.035794
0.034916
0.034067
0.033246
0.032454
0.031689
0.030953
0.030246
0.029566
0.028915
0.028293
0.027698
0.027132
0.026594
0.026085
0.025604
0.025151
0.024726
0.02433
0.023962
0.023622
0.023311
0.023028
0.022773
0.022547
0.022349
0.022179
0.022037
0.021924
0.021839
0.021783
0.021754
dpH/dVol
Vol
10.92177
11.12364
11.33513
11.51566
11.74212
11.91913
12.13458
12.32998
Most constants given in this compilation of ~250 systems but not all were obtained at 25 C and are th
No guarantee is given that the compiled pKas or the calculations made with CurTiPot are correct or accurate. CurTiPot takes
More systems, e.g., from the sources given next, can be added: a) at the end of the list; b) in alphabetic order by inserting line
Larger compilations of equilibrium constants and examples of on-line literature on acid-base equilibrium
Martell, A. E., Smith, R. M., Critical Stability Constants, Vol. 14. Plenum Press: New York, 1976.
Perrin, D. D., Dissociation Constants of Organic Bases in Aqueous Solution, Butterworths, London, 1965; Supplement, 1972.
Serjeant, E. P., and Dempsey, B., Ionization Constants of Organic Acids in Aqueous Solution, Pergamon, Oxford, 1979.
Albert, A., "Ionization Constants of Heterocyclic Substances", in Physical Methods in Heterocyclic Chemistry, Katritzky, A. R., E
Perrin, D. D., Dempsey, B., and Serjeant, E. P., pKa Prediction for Organic Acids and Bases, Chapman & Hall, London, 1981.
Dawson, R. M. C., Elliot, D. C., Elliot, W. H., and Jones, K. M., Data for Biochemical Research, Oxford Science Publications, O
Dissociation constants of inorganic and organic compounds (compliation with 33 pages)
Dissociation constants of organic compounds (~600 compounds)
Visual Indicators for acid-base titrations
Activity coefficient estimation:an appreciation of 20 equations: Ionic St_effects.pdf in the package: http://www.iupac.org/projec
The modules pH_calc and Regression estimate gi by the Davies equation:
cid or Base
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
FREQUENTLY
Acetic acid
Ammonia
Carbonic acid
Citric acid
EDTA
HCl
Hydroxide ion
Phosphoric acid
Charge, fully
deprotonated
pKa1
pKa2
pKa3
USED
-1
0
-2
-3
-4
-1
-1
-3
0
0
ALPHABETIC ORDER
Acetamide
0
Acetic acid
-1
Acetoacetic acid
-1
Acrylic acid
-1
Adipic acid
-2
Alanine
-1
Aminobenzene = aniline
0
2-Aminobenzoic acid
-1
4-Animobenzoic acid
-1
2-Aminobutanoic acid
-1
6-Aminohexanoic acid
-1
5-Aminopentanoic acid
-1
2-Aminophenol
-1
b-Alanine
-1
Ammonia
0
Aniline
0
Arginine
-1
4.757
9.244
6.352
10.329
3.128
4.761
6.396
0
1.5
2
-7
15.745
2.148
7.199
12.35
0
0
Insert new lines anywere to add more systems; renumber column B
0.63
4.757
3.58
4.25
4.43
5.41
2.348
9.867
4.6
2.108
4.946
2.501
4.874
2.29
9.83
4.373
10.804
4.27
10.766
4.78
9.97
3.55
10.24
9.244
4.63
1.823
8.991
12.48
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
Arsenic acid
Arsenous acid
Ascorbic acid
Asparagine
Aspartic acid
Barbital
Barbituric acid
Benzenesulfonic acid
Benzoic acid
Benzylamine
2-Benzylpyridine
Betaine
Boric acid
Butanoic acid
3-Butenoic acid
Butylamine
sec-Butylamine
tert-Butylamine
Cadaverine
Carbonic acid
Catechol
Chloroacetic acid
2-Chloroaniline
3-Chloroaniline
4-Chloroaniline
2-Chlorobenzoic acid
3-Chlorobenzoic acid
4-Chlorobenzoic acid
3-Chlorophenol
4-Chlorophenol
2-Chlorophenol
Choline
Chromic acid
Citric acid
Codeine
Creatinine
m-Cresol
O-Cresol
p-Cresol
Cupferron
Cyanic acid
Cysteine
Decylamine
2,4-Diaminobutanoic acid
Dichloroacetic acid
2,3-Dichlorophenol
Diethylamine
Diisopropylamine
Dimethylamine
Dimethylglyoxime
2,3-Dimethylpyridine
2,4-Dimethylpyridine
2,5-Dmethylpyridine
2,6-Dimethylpyridine
3,4-Dimethylpyridine
3.5-Dimethylpyridine
-3
-1
-2
-1
-2
0
-1
-1
-1
0
0
-1
-3
-1
-1
0
0
0
0
-2
-2
-1
0
0
0
-1
-1
-1
-1
-1
-1
0
-2
-3
0
0
-1
-1
-1
-1
-1
-2
0
-1
-1
-1
0
0
0
-2
0
0
0
0
0
0
2.24
9.22
4.1
2.14
1.99
7.43
4.01
0.7
4.19
9.33
5.13
1.83
9.236
4.83
4.34
10.77
10.56
10.68
10.05
6.352
9.4
2.865
2.65
3.46
4.15
2.92
3.82
3.98
8.85
9.18
8.49
13.9
0,2
3.128
8.21
4.83
10.01
10.2
10.17
4.16
3.46
1.71
10.64
1.85
1.3
7.46
10.933
11.05
10.774
10.66
6.58
6.99
6.4
6.65
6.46
6.15
6.96
11.5
11.79
8.72
3.9
10.002
12.74
13.8
10.93
10.329
12.8
6.51
4.761
6.396
9.2
8.36
10.77
8.24
10.44
12.0
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
Dinicotinic acid
-1
Diphenylamine
0
Dipicolinic acid
-2
Dopamine
-1
d-Ephedrine
0
Ethanolamine
0
Ethylamine
0
Ethylenediamine
0
Ethylenediaminetetraacetic acid -4
(EDTA)
Ethyleneimine
0
2-Ethylpyridine
0
Formic acid
-1
Fumaric acid
-2
L-Glutamic acid
-1
L-Glutamine
-1
L-Glutathione
-2
Glyceric acid
-1
Glycerol
-1
Glycine
-2
Glycolic acid
-1
Glyoxylic acid
-1
Heptanedioic acid
-1
Heptanoic acid
-1
Heptylamine
0
Hexamethylenediamine
0
Hexanoic acid
-1
Hexylamine
0
Histamine
0
Histidine
-1
Hydrazine
0
Hydroazoic
-1
Hydrogen bromide
-1
Hydrogen chloride
-1
2.8
0.79
2.16
8.9
10.139
9.5
10.636
6.848
0
8.01
5.89
3.745
3.053
2.23
2.17
2.12
3.52
14.15
2.35
3.831
3.18
4.71
4.89
10.67
10.762
4.85
10.56
6.04
1.7
8.07
4.72
-9
-7
118
119
120
121
-1
-1
-1
-1
6.52
9.21
3.17
11.65
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
-1
-2
-1
0
0
-2
-2
-1
-1
-1
-1
-1
0
-1
-3
-1
-1
0
-1
1.66
7.02
0.9
10.35
5.96
4.06
4.48
4.51
4.91
8.63
7.53
10.64
6.953
0.77
3.29
2.319
3.86
9.958
2.328
4.76
10.6
9.928
1.5
4.494
4.42
9.13
3.59
9.95
8.75
9.778
11.857
9.75
6.02
9.08
13.9
9.92
9.32
9.81
4.71
9.754
9.744
6.4
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
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
Lysine
-1
2.04
Maleic acid
-2
1.91
Malic acid
-2
3.459
Malonic acid
-2
2.847
Melamine = 1,3,5-triazine-2,4,6-triamine
0
5
Methionine = (S)-2-amino-4-(methylsulfanyl)-butanoic
-1
2.13 acid
Methylamine
0
10.63
2-Methylaniline = o-touidine = 2-amino-1-methylbenzene
0
4.447
4-Methylaniline = p-toluidine = 4-amino-1-methylbenzene
0
5.084
2-Methylbenzimidazole
0
6.19
2-Methylbutanoic acid
-1
4.8
3-Methylbutanoic acid
-1
4.77
Methylmalonic acid
-2
3.07
Methyl-1-naphthylamine
0
3.67
4-Methylpentanoic acid
-1
4.84
1-Methylpiperidine
0
10.08
2-Methylphenol = o-cresol
-1
10.28
4-Methylphenol = p-cresol
-1
10.26
2-Methylpyridine
0
5.97
3-Methylpyridine
0
5.68
4-Methylpyridine
0
6.02
Morphine
0
8.21
Morpholine
0
8.33
1-Naphthol
-1
9.34
2-Naphthol
-1
9.51
Nicotine
0
3.12
Nitrilotriacetic acid
-3
1.1
2-Nitroaniline
0
-0.26
3-Nitroaniline
0
2.466
4-Nitroaniline
0
1
2-Nitrobenzoic acid
-1
2.179
2-Nitrophenol
-1
7.21
3-Nitrophenol
-1
8.39
4-Nitrophenol
-1
7.15
3-Nitrobenzoic acid
-1
3.449
4-Nitrobenzoic acid
-1
3.442
Nitrous acid
-1
3.15
Noradrenaline
-1
8.64
Octadecylamine
0
10.6
Octanedioic acid
-1
4.52
Octanoic acid
-1
4.89
Oxalic acid
-2
1.252
Oxaloacetic acid
-2
2.22
Papaverine
0
6.4
Pentanoic acid
-1
4.84
Perchloric acid
-1
-10
p-Periodic acid
-2
1.55
1,10-Phenanthroline
0
4.84
m-Phenetidine
0
4.18
o-Phenetidine
0
4.43
Phenol
-1
9.98
Phenylacetic acid
-1
4.28
Phenylalanine
-1
2.2
Phenylethylamine
0
9.84
Phenylglycine
-1
1.83
Phosphoric acid
-3
2.148
9.08
6.332
5.097
5.696
10.69
9.27
5.76
8.02
1.65
2.94
9.7
4.266
3.89
13.03
8.28
9.31
4.39
7.199
12.35
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
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
241
242
243
244
245
246
247
248
249
250
251
252
m-Phthalic acid
-2
o-Phthalic acid
-2
p-Phthalic acid
-2
Picolinic acid
-2
Picric acid
-1
Pilocarpine
0
Piperazine
0
Piperidine
0
p-Phenetidine
0
Proline
-1
Propanoic acid
-1
Propylamine
0
Purine
0
Pyridine
0
3-Pyridinecarboxylic acid
-1
4-Pyridinecarboxylic acid
-1
Pyrimidine
0
Pyrocatechol
-2
Pyrophosphoric
-4
Pyrrolidine
0
Pyruvic acid
-1
Quinine
0
Quinoline
0
Resorcinol
-2
Saccharin
-1
Salicylic acid
-2
Selenic acid
-1
Selenous acid
-2
Serine
-1
o-Silicic acid
-2
m-Silicic acid
-2
Strychnine
0
Succinic acid
-2
Sulfuric acid
-2
Sulfurous acid
-2
d-Tartaric acid
-2
meso-Tartaric acid
-2
Terephthalic acid
-1
Thiazole
0
Thioacetic acid
-1
Thiosulfuric acid
-2
Threonine
-1
m-Toluic acid
-1
o-Toluic acid
-1
p-Toluic acid
-1
Trichloroacetic acid
-1
Triethanolamine
0
Triethylamine
0
Trimethylacetic acid
-1
Trimethylamine
0
Tris(hydroxymethyl)- aminomethane
0 (tris)
Tryptophan
-1
Tyramine
0
Tyrosine
-1
Urea
0
Uric acid
-1
3.54
2.95
3.51
1.07
0.38
6.87
5.56
7.53
5.2
1.952
4.874
10.566
2.3
5.229
4.85
4.96
6.35
9.4
1.52
11.27
2.39
4.13
4.9
9.3
11.68
2.97
1.92
2.64
2.19
9.66
9.7
8.26
4.207
-3
1.91
3.036
3.22
3.51
2.44
3.33
0.6
2.088
4.27
3.91
4.36
0.66
7.762
10.715
5.03
9.8
8.075
2.35
9.74
2.17
0.1
3.89
4.6
5.408
4.82
5.25
9.83
11.123
10.64
8.96
12.8
2.36
6.6
8.52
11.06
13.74
8.28
9.05
11.7
12
5.636
1.99
7.18
4.366
4.82
1.63
9.1
9.33
10.52
9.19
10.47
253 Valine
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
-1
2.286
9.718
t not all were obtained at 25 C and are thermodynamic ones (I=0), as required by the pH_calc and Regression modules.
h CurTiPot are correct or accurate. CurTiPot takes in account only protonation equilibria and other chemical reactions can occur for many combinations o
end of the list; b) in alphabetic order by inserting line(s) and redoing the sequential numbering (column B).
literature on acid-base equilibrium
Methods in Heterocyclic Chemistry, Katritzky, A. R., Ed., Academic Press, New York, 1963.
http://www.beloit.edu/~chem/Chem220/indicator/
pKa2 = logKpn-1
pKa3 = logKpn-2
pKa4 = logKpn-3
pKa5 = logKpn-4
pKa6 = logKpn-5
pKa4
2.68
pKa5
6.11
pKa6
10.17
Temperat.
C
Ionic
strength
25
25
25
25
25
25
25
25
0
0
0
0
0.1
0
0
0
Formula
CH3COOH
NH3
H2CO3
H3C6H5O7
C10H16N2O8
HCl
NaOH
H3PO4
25
24
25
25
25
25
25
25
25
25
0
20
25
25
20
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
20
25
25
25
25
25
25
25
0
0
0
0.1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.1
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
H3AsO4
H3AsO3
C6H8O6
C4H8N2O3
C4H7NO4
C8H12N2O3
C4H4N2O3
C6H6O3S
C7H6O2
C7H9N
C12H11N
C5H11NO2
H3BO3
C4H8O2
C4H6O2
C4H11N
C4H11N
C4H11N
C5H14N2
H2CO3
C6H4(OH)2
ClCH2COOH
C6H6CIN
C6H6CIN
C6H6CIN
C7H5CIO2
C7H5CIO2
C7H5CIO2
C6H5CIO
C6H5CIO
C6H5CIO
C5H14NO
H2CrO4
H3C6H5O7
C18H21NO3
C4H7N3O
C7H8O
C7H8O
C7H8O
C6H6N2O
HCNO
C3H7NO2S
C10H23N
C4H10N2O2
Cl2CHCOOH
C6H4Cl2O
(CH3CH2)2NH
C6H15N
(CH3)2NH
C4H12O2N2
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
2.68
9.65
6.11
10.17
25
25
25
25
10
25
25
25
25
25
25
20
25
25
25
25
25
25
25
25
25
25
25
25
0
25
25
25
25
30
0
0
0
0
0
0
0
0
0.1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.1
25
25
0
0
25
25
25
0
0
0
25
25
20
25
19
19
25
25
25
25
25
25
25
25
25
0
0
10
25
0
0
0
0
0
0
0
0
0
0
0
0
0
0
C7H5NO4
C12H11N
C7H5NO4
C8H11NO2
C10H15NO
C2H7NO
CH3CH2NH2
H2NCH2CH2NH2
C10H16N2O8
C2H5N
C7H9N
HCOOH
C4H4O4
C5H9NO4
C5H10N2O3
C10H17N3O6S
C3H6O4
C3H8O3
H2NCH2COOH
HOCH2COOH
C2H2O3
C7H12O4
C7H14O2
C7H17N
C6H16N2
C6H12O2
C6H15N
C5H9N3
C6H9N3O2
N2H4
HN3
HI
HCl
HCrO4HCN
HF
H2O2
HSeO4H2S
HSCN
C6H6O2
NH2OH
C7H6O3
C7H6O3
C3H6O3
HOBr
HOCl
HOI
C3H4N2
HIO3
C6H8O7
C6H13NO2
HC3H5O3
C10H15NO
C6H13NO2
10.334
25
25
25
25
25
25
25
25
25
25
25
25
25
27
18
25
25
25
20
20
20
25
25
25
25
25
20
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
0.1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
25
25
28
25
18
25
25
25
25
0
0
0
0
0
0
0
0
0
C6H14N2O2
C4H4O4
C4H6O5
HOOCCH2COOH
C3H6N6
C5H11NO2S
CH5N
C7H9N
C7H9N
C8H8N2
C5H10O2
C5H10O2
C4H6O4
C11H11N
C6H12O2
C6H13N
C7H8O
C7H8O
C6H7N
C6H7N
C6H7N
C17H19NO3
C4H9NO
C10H8O
C10H8O
C10H14N2
C6H6N2O2
C6H6N2O2
C6H6N2O2
C7H5NO4
C6H5NO3
C6H5NO3
C6H5NO3
C7H5NO4
C7H5NO4
HNO2
C8H11NO3
C18H39N
C8H14O4
C8H16O2
C2H2O4
C4H4O5
C20H21NO4
C5H10O2
HClO4
H5IO6
C12H8N2
C8H11NO
C8H11NO
HC6H5O
C8H8O2
C9H11NO2
C8H11N
C8H9NO2
H3PO4
25
25
25
25
0
0
0
0
30
23
25
28
25
25
25
20
25
25
25
20
20
0
0
0
0
0
0
0
0
0
0
0
0
0
25
25
25
20
25
18
25
25
25
0
0
0
0
0
0
0
0
0
0
25
25
25
25
25
25
20
25
25
25
25
25
25
25
25
25
25
25
25
25
25
25
21
12
0
0
0
0
0
0
0
0
0
0
0
0
0.1
0
0
0
0
0
0.1
0
0
0
0
9.25
C8H6O4
C8H6O4
C8H6O4
C6H5NO2
C6H3N3O7
C11H16N2O2
C4H10N2
C5H11N
C8H11NO
C5H9NO2
CH3CH2COOH
CH3CH2CH2NH2
C5H4N4
C5H5N
C6H5NO2
C6H5NO2
C11H8N2
C6H6O2
H4P2O7
C4H9N
C3H4O3
C20H24N2O2
C9H7N
C6H6O2
C7H5NO3S
C7H6O3
H2SeO4
H2SeO3
C3H7NO3
H4SiO4
H2SiO3
C21H22N2O2
HOOCCH2CH2C
H2SO4
H2SO3
C4H6O6
C4H6O6
C8H6O4
C3H3NS
C2H4OS
H2S2O3
C4H9NO3
C8H8O2
C8H8O2
C8H8O2
Cl3CCOOH
(HOCH2CH2)3NH
(CH3CH2)3NH
C5H10O2
(CH3)3NH
(HOCH2)3CNH3
C11H12N2O2
C8H11NO
C9H11NO3
CH4N2O
C5H4N4O3
25
C5H11NO2
chemical reactions can occur for many combinations of two or more of the listed systems.
http://achpc50.chemie.uni-karlsruhe.de/Cours%20de%20Chris%20Anso
http://ptcl.chem.ox.ac.uk/MSDS/msds-searcher.html
http://www.iupac.org/publications/pac/2002/pdf/7411x2169.pdf
http://nvl.nist.gov/pub/nistpubs/jres/066/2/V66.N02.A06.pdf
Molar mass
g/mol
60.052
17.026
192.027
292.09
97.976
59.067
60.052
102.089
72.063
146.143
89.094
93.13
137.138
137.138
17.026
184.19
128.09
110.1
153.18
165.23
116.07
147.13
146.15
75.07
68.08
131.18
165.23
31.1
107.17
107.17
108.14
108.14
180.3
166.14
166.14
208.259
85.15
115.13
120.11
79.1
110.1
177.98
88.06
324.42
129.16
110.1
138.12
105.09
334.41
118.09
98.08
82.07
150.09
150.09
119.12
uni-karlsruhe.de/Cours%20de%20Chris%20Anson/OHP8acids.doc
k/MSDS/msds-searcher.html
blications/pac/2002/pdf/7411x2169.pdf
istpubs/jres/081/1/V81.N01.A03.pdf
istpubs/jres/066/2/V66.N02.A06.pdf