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Proton dissociation constants

pKa

MolID Name Species pKa T (°C) Ionic Strength (M) Electrolyte Ref. for pKa ΔrH° (kcal/mol) ΔrS° (kcal/mol) ΔrG° (kcal/mol) Ref. for Thermal Dynamics Data
94 Cysteine HL 10.74 25 NH4NO3 04MSM None
94 Cysteine H2L 8.36 25 NH4NO3 04MSM None
94 Cysteine H3L 1.7 25 NH4NO3 04MSM None
1 Ammonia HL 9.24 25 None 04MSM -12.43 0.6 0 04MSM
2 Formaldehyde HL 13.27 25.0 None 17CRC0525 None
3 Hydrogen peroxide HL 11.62 25.0 0.0 None 17CRC0524 None
4 Hydrogen sulfide H2L 7.05 25.0 0.0 None 17CRC0524 None
4 Hydrogen sulfide HL 19.0 25.0 0.0 None 17CRC0524 None
5 Acetaldehyde HL 13.57 25.0 None 17CRC0525 None
6 Dimethylamine HL 10.73 25.0 None 17CRC0525 None
7 Ethylamine HL 10.65 25.0 None 17CRC0525 None
8 Azetidine; Trimethyleneimine; Azacyclobutane HL 11.29 25.0 0.0 None 17CRC0525 -12.52 9.7 04MSM
9 Acetamide; Acetic acid amide HL 15.1 25.0 None 17CRC0525 None
10 Propylamine HL 10.54 25.0 None 17CRC0525 None
11 Urea; Carbamide HL 0.1 25 0.0 None 04MSM None
12 1,2-Ethanediamine; Ethylenediamine HL 9.92 25 None 17CRC0525 None
12 1,2-Ethanediamine; Ethylenediamine H2L 6.86 25 None 17CRC0525 None
13 1,2-Ethanediol HL 15.1 25.0 None 17CRC0525 None
14 Pyrrole HL -3.8 25.0 None 17CRC0525 None
15 Pyrrolidine; Azacyclopentane HL 11.31 25.0 None 17CRC0525 None
16 Diethylamine HL 10.84 25.0 None 17CRC0525 None
17 Nitroethane HL 8.46 25.0 None 17CRC0525 None
18 2-Methoxyethylamine HL 9.4 25.0 None 17CRC0525 None
19 1-Methylimidazole HL 6.95 25.0 None 17CRC0525 None
20 Piperidine; Azacyclohexane HL 11.123 25.0 None 17CRC0525 None
21 Piperazine; 1,4-Diazacyclohexane HL 9.73 25.0 None 17CRC0525 None
21 Piperazine; 1,4-Diazacyclohexane H2L 5.33 25.0 None 17CRC0525 None
22 Morpholine HL 8.5 25.0 None 17CRC0525 None
23 Glycerol HL 14.15 25.0 None 17CRC0525 None
24 Aniline HL 4.87 25.0 None 17CRC0525 None
25 3-Methylpyridine; 3-Picoline HL 5.7 25.0 None 17CRC0525 None
26 2-Methylpyridine; 2-Picoline HL 6.0 25.0 None 17CRC0525 None
27 Cyclohexylamine HL 10.64 25.0 None 17CRC0525 None
28 1-Methylpiperidine HL 10.38 25.0 None 17CRC0525 None
29 2,2,2-Trifluoroethanol HL 12.37 25.0 None 17CRC0525 None
30 Diisopropylamine HL 11.05 25.0 None 17CRC0525 None
31 Hexylamine HL 10.56 25.0 None 17CRC0525 None
32 Triethylamine HL 10.75 25.0 None 17CRC0525 None
33 3-Methylbutanoic acid; Isovaleric acid HL 4.77 25.0 None 17CRC0525 1.18 25.9 04MSM
34 Benzaldehyde HL 14.9 25.0 None 17CRC0525 None
35 4-Pyridinecarboxaldehyde HL 12.05 30.0 None 17CRC0525 None
36 2-Ethylpyridine HL 5.89 25.0 None 17CRC0525 None
37 3-Methylaniline; m-Toluidine HL 4.71 25.0 None 17CRC0525 None
38 2,4-Dimethylpyridine; 2,4-Lutidine HL 6.99 25.0 None 17CRC0525 None
39 3,4-Dimethylpyridine; 3,4-Lutidine HL 6.46 25.0 None 17CRC0525 None
40 2,3-Dimethylpyridine; 2,3-Lutidine HL 6.57 25.0 None 17CRC0525 None
41 2,5-Dimethylpyridine; 2,5-Lutidine HL 6.4 25.0 None 17CRC0525 None
42 3,5-Dimethylpyridine; 3,5-Lutidine HL 6.15 25.0 None 17CRC0525 None
43 m-Cresol HL 10.09 25.0 None 17CRC0525 None
44 1,3-Benzenediamine H2L 2.5 20.0 None 17CRC0525 None
44 1,3-Benzenediamine HL 5.11 20.0 None 17CRC0525 None
45 Benzenethiol; Thiophenol HL 6.62 25.0 None 17CRC0525 None
46 Uracil HL 9.45 25.0 None 17CRC0525 None
47 2-Fluorophenol HL 8.73 25.0 None 17CRC0525 None
48 4-Fluorophenol HL 9.89 25.0 None 17CRC0525 None
49 2-Chloropyridine HL 0.49 25.0 None 17CRC0525 -0.02 2.2 04MSM
50 3-Chloropyridine HL 2.81 25.0 None 17CRC0525 None
51 Heptylamine HL 10.67 25.0 None 17CRC0525 None
52 Hexanoic acid HL 4.85 25.0 None 17CRC0525 None
53 4-Hydroxybenzonitrile; 4-Cyanophenol HL 7.97 25.0 0.0 None 17CRC0525 -4.76 20.5 04MSM
54 3-Hydroxybenzonitrile; 3-Cyanophenol HL 8.61 25.0 None 17CRC0525 None
55 2,6-Dimethylaniline; 2,6-Xylidine HL 3.89 25.0 None 17CRC0525 None
56 N-Ethylaniline HL 5.12 25.0 None 17CRC0525 None
57 Benzoic acid HL 4.204 25.0 None 17CRC0525 None
58 Salicylaldehyde HL 8.37 25.0 None 17CRC0525 None
59 Nitrobenzene HL 3.98 0.0 None 17CRC0525 None
60 2-Methoxyaniline; o-Anisidine HL 4.53 25.0 None 17CRC0525 None
61 4-Methoxyaniline; p-Anisidine HL 5.36 25.0 None 17CRC0525 None
62 3-Methoxyaniline; m-Anisidine HL 4.2 25.0 None 17CRC0525 None
63 3-Methoxyphenol HL 9.65 25.0 None 17CRC0525 None
64 2-Chloroaniline HL 2.66 25.0 None 17CRC0525 None
65 4-Chloroaniline HL 3.98 25.0 None 17CRC0525 -6.6 -4.0 04MSM
66 3-Chloroaniline HL 3.52 25.0 None 17CRC0525 -6.4 -5.4 04MSM
67 4-Chlorophenol HL 9.41 25.0 None 17CRC0525 None
68 2-Chlorophenol HL 8.56 25.0 None 17CRC0525 None
69 3-Chlorophenol HL 9.12 25.0 None 17CRC0525 None
70 Cyanuric acid H3L 6.88 nan None 17CRC0525 None
70 Cyanuric acid H2L 11.4 nan None 17CRC0525 None
70 Cyanuric acid HL 13.5 nan None 17CRC0525 None
71 Quinoline HL 4.9 20.0 None 17CRC0525 None
72 Octylamine HL 10.65 25.0 None 17CRC0525 None
73 Dibutylamine HL 11.25 25 0.0 None 04MSM -13.66 5.6 04MSM
74 2-Nitroaniline HL -0.25 25.0 0.0 None 17CRC0525 -2.0 -7.9 04MSM
75 3-Nitroaniline HL 2.46 25.0 None 17CRC0525 -5.2 -6.2 04MSM
76 4-Nitrophenol HL 7.15 25.0 None 17CRC0525 -4.64 17.1 04MSM
77 2-Nitrophenol HL 7.23 25.0 None 17CRC0525 -4.56 17.8 04MSM
78 3-Nitrophenol HL 8.36 25.0 None 17CRC0525 -4.80 22.2 04MSM
79 2-Naphthylamine HL 4.16 25.0 None 17CRC0525 None
80 1-Naphthylamine HL 3.92 25.0 None 17CRC0525 None
81 1-Naphthol HL 9.39 25.0 None 17CRC0525 None
82 2-Naphthol HL 9.63 25.0 None 17CRC0525 None
83 4-tert-Butylphenol; 4-(2-Methyl-2-propyl)phenol HL 10.23 25.0 None 17CRC0525 None
84 4-Methoxybenzoic acid; p-Anisic acid HL 4.5 25.0 None 17CRC0525 None
85 2-Methoxybenzoic acid HL 4.08 25.0 None 17CRC0525 None
86 3-Methoxybenzoic acid HL 4.1 25.0 None 17CRC0525 None
87 Acetylsalicylic acid; 2-(Acetyloxy)benzoic acid; Aspirin HL 3.48 25.0 None 17CRC0525 None
88 D-Mannitol HL 13.5 18.0 None 17CRC0525 None
89 2-Iodophenol HL 8.51 25.0 None 17CRC0525 None
90 Mefenamic acid HL 4.2 nan None 17CRC0525 None
91 4-Amino-3,5,6-trichloro-2-pyridinecarboxlic acid HL 3.6 nan None 17CRC0525 None
92 3,5-Dibromo-4-hydroxybenzonitrile HL 4.06 nan None 17CRC0525 None
93 Amitriptyline HL 9.4 nan None 17CRC0525 None
12 1,2-Ethanediamine; Ethylenediamine HL 9.928 25 0.0 None 04MSM -11.8 5.8 04MSM
12 1,2-Ethanediamine; Ethylenediamine H2L 6.848 25 0.0 None 04MSM -10.8 -4.9 04MSM
44 1,3-Benzenediamine HL 5.11 20 0.1 None 04MSM None
44 1,3-Benzenediamine HL 4.89 25 0.1 None 04MSM None
44 1,3-Benzenediamine H2L 2.40 20 0.1 None 04MSM None
44 1,3-Benzenediamine H2L 2.50 25 0.1 None 04MSM None
19 1-Methylimidazole HL 7.10 25 0.1 None 04MSM -8.0 5.6 04MSM
19 1-Methylimidazole HL 7.20 25 0.5 None 04MSM None
19 1-Methylimidazole HL 7.31 25 1.0 None 04MSM None
28 1-Methylpiperidine HL 10.08 25 0.0 None 04MSM -39.4 14.5 04MSM
28 1-Methylpiperidine HL 10.02 20 0.1 None 04MSM None
28 1-Methylpiperidine HL 10.18 25 0.5 None 04MSM -41.4 13.4 04MSM
81 1-Naphthol HL 9.416 25 0.0 None 04MSM -5.0 26 None
81 1-Naphthol HL 9.14 25 0.1 None 04MSM 25 None
81 1-Naphthol HL 9.06 25 0.5 None 04MSM None
81 1-Naphthol HL 9.05 25 1.0 None 04MSM None
97 Trifluoroacetic acid HL -0.2 25 None 04MSM None
40 2,3-Dimethylpyridine; 2,3-Lutidine HL 6.58 25 0.0 None 04MSM None
40 2,3-Dimethylpyridine; 2,3-Lutidine HL 6.75 25 0.5 None 04MSM -7.46 5.8 None
38 2,4-Dimethylpyridine; 2,4-Lutidine HL 6.63 25 0.0 None 04MSM -7.2 6.2 04MSM
38 2,4-Dimethylpyridine; 2,4-Lutidine HL 6.67 25 0.1 None 04MSM None
38 2,4-Dimethylpyridine; 2,4-Lutidine HL 6.83 25 0.5 None 04MSM -8.26 3.5 04MSM
41 2,5-Dimethylpyridine; 2,5-Lutidine HL 6.42 25 0.0 None 12MNSol -7.12 6.2 04MSM
41 2,5-Dimethylpyridine; 2,5-Lutidine HL 6.58 25 0.5 None 04MSM -6.8 6.6 04MSM
55 2,6-Dimethylaniline; 2,6-Xylidine HL 3.95 25 0.0 None 04MSM None
55 2,6-Dimethylaniline; 2,6-Xylidine HL 3.94 20 0.1 None 04MSM None
87 Acetylsalicylic acid; 2-(Acetyloxy)benzoic acid; Aspirin HL 3.64 25 None 04MSM None
87 Acetylsalicylic acid; 2-(Acetyloxy)benzoic acid; Aspirin HL 3.41 25 0.15 None 04MSM None
87 Acetylsalicylic acid; 2-(Acetyloxy)benzoic acid; Aspirin HL 3.35 25 0.5 None 04MSM None
64 2-Chloroaniline HL 2.653 25 0.0 None 04MSM -5.81 -7.4 04MSM
68 2-Chlorophenol HL 8.531 25 0.0 None 04MSM -4.54 23.8 04MSM
68 2-Chlorophenol HL 8.29 25 0.1 None 04MSM -4.8 21.8 04MSM
68 2-Chlorophenol HL 8.23 25 0.5 None 04MSM None
36 2-Ethylpyridine HL 6.10 25 0.0 None 04MSM None
36 2-Ethylpyridine HL 5.97 25 0.5 None 04MSM -6.48 6.0 04MSM
47 2-Fluorophenol HL 8.705 25 0.0 None 04MSM None
47 2-Fluorophenol HL 8.49 25 0.1 None 04MSM None
60 2-Methoxyaniline; o-Anisidine HL 4.526 25 0.0 None 04MSM -7.6 -4.8 04MSM
85 2-Methoxybenzoic acid HL 4.094 25 0.0 None 04MSM 1.60 24.1 04MSM
85 2-Methoxybenzoic acid HL 3.87 25 0.1 None 04MSM 0.48 19.3 04MSM
18 2-Methoxyethylamine HL 9.43 25 0.0 None 04MSM -12 3 04MSM
18 2-Methoxyethylamine HL 9.45 25 0.1 None 04MSM None
18 2-Methoxyethylamine HL 9.45 25 0.5 None 04MSM None
18 2-Methoxyethylamine HL 9.62 25 1.0 None 04MSM None
130 Water HL 13.995 25.0 0.0 None 17CRC0524 None
99 Methylamine HL 10.66 25.0 None 17CRC0525 None
120 Methanol HL 15.5 25.0 None 17CRC0525 None
118 Hydrazine HL 8.1 25.0 0.0 None 17CRC0524 None
113 Ethanol HL 15.5 25.0 None 17CRC0525 None
115 Methanethiol HL 10.33 25.0 None 17CRC0525 None
132 Allyl alcohol HL 15.5 25.0 None 17CRC0525 None
104 Trimethylamine HL 9.8 25.0 None 17CRC0525 None
121 Acetic acid HL 4.756 25.0 None 17CRC0525 None
116 Nitromethane HL 10.21 25.0 None 17CRC0525 None
123 Imidazole HL 6.99 25.0 None 17CRC0525 None
106 Butylamine HL 10.6 25.0 None 17CRC0525 None
129 Propanoic acid; Propionic acid HL 4.87 25.0 None 17CRC0525 None
131 2-Methoxyethanol HL 14.8 25.0 None 17CRC0525 None
111 Pyridine HL 5.23 25.0 None 17CRC0525 None
101 Pentylamine HL 10.63 25.0 None 17CRC0525 None
102 Butanoic acid; Butyric acid HL 4.83 25.0 None 17CRC0525 None
103 4-Methylpyridine; 4-Picoline HL 5.99 25.0 None 17CRC0525 None
108 Phenol HL 9.99 25.0 None 17CRC0525 None
100 2-Methylpyrazine HL 1.45 27.0 None 17CRC0525 None
127 4-Methylmorpholine; N-Methylmorpholine HL 7.38 25.0 None 17CRC0525 None
117 Pentanoic acid HL 4.83 20.0 None 17CRC0525 None
125 2-Methylaniline HL 4.45 25.0 None 17CRC0525 None
98 N-Methylaniline HL 4.85 25.0 None 17CRC0525 None
126 4-Methylaniline; p-Toluidine HL 5.08 25.0 None 17CRC0525 -7.60 -2.3 04MSM
119 2,6-Dimethylpyridine HL 6.65 25.0 None 17CRC0525 None
122 o-Cresol HL 10.29 25.0 None 17CRC0525 None
109 p-Cresol HL 10.26 25.0 None 17CRC0525 None
112 Benzamide HL 13.0 25.0 None 17CRC0525 None
110 N,N-Dimethylaniline HL 5.07 25.0 None 17CRC0525 None
107 3-Hydroxybenzaldehyde HL 8.98 25.0 None 17CRC0525 None
124 4-Hydroxybenzaldehyde HL 7.61 25.0 None 17CRC0525 None
114 2-Methoxyphenol HL 9.98 25.0 None 17CRC0525 -5.58 27.0 04MSM
128 4-Nitroaniline HL 1.02 25.0 None 17CRC0525 None
105 4-Bromophenol HL 9.37 25.0 None 17CRC0525 None
119 2,6-Dimethylpyridine HL 6.73 25 0.0 None 04MSM -7.2 6.6 04MSM
119 2,6-Dimethylpyridine HL 6.92 25 0.5 None 04MSM -8.36 3.5 04MSM
125 2-Methylaniline HL 4.447 25 0.0 None 04MSM -7.22 -3.9 04MSM
26 2-Methylpyridine; 2-Picoline HL 5.95 25 0.0 None 04MSM -6.1 6.8 04MSM
26 2-Methylpyridine; 2-Picoline HL 5.96 25 0.1 None 04MSM None
26 2-Methylpyridine; 2-Picoline HL 5.95 25 0.5 None 04MSM -6.55 5.7 04MSM
82 2-Naphthol HL 9.573 25 0.0 None 04MSM -4.6 28.4 04MSM
82 2-Naphthol HL 9.31 25 0.1 None 04MSM None
82 2-Naphthol HL 9.24 25 0.5 None 04MSM None
82 2-Naphthol HL 9.25 25 1.0 None 04MSM None
77 2-Nitrophenol HL 7.04 25 0.1 None 04MSM None
39 3,4-Dimethylpyridine; 3,4-Lutidine HL 6.47 25 0.0 None 04MSM None
39 3,4-Dimethylpyridine; 3,4-Lutidine HL 6.57 25 0.5 None 04MSM -7.48 5.0 04MSM
42 3,5-Dimethylpyridine; 3,5-Lutidine HL 6.13 25 0.0 None 04MSM -6.4 6.6 04MSM
42 3,5-Dimethylpyridine; 3,5-Lutidine HL 6.20 25 0.1 None 04MSM None
42 3,5-Dimethylpyridine; 3,5-Lutidine HL 6.39 25 0.5 None 04MSM None
66 3-Chloroaniline HL 4.08 20 0.1 None 04MSM None
69 3-Chlorophenol HL 9.125 25 0.0 None 04MSM -5.2 24.3 04MSM
69 3-Chlorophenol HL 8.78 25 0.1 None 04MSM -6.1 19.7 04MSM
50 3-Chloropyridine HL 2.84 25 0.0 None 04MSM -2.60 4.1 04MSM
50 3-Chloropyridine HL 3.01 25 0.5 None 04MSM -2.89 4.2 04MSM
107 3-Hydroxybenzaldehyde HL 8.988 25 0.0 None 04MSM -20.9 24.4 04MSM
54 3-Hydroxybenzonitrile; 3-Cyanophenol HL 8.57 25 0.0 None 04MSM -5.04 22.3 04MSM
54 3-Hydroxybenzonitrile; 3-Cyanophenol HL 8.36 25 0.1 None 04MSM -5.3 20.5 04MSM
62 3-Methoxyaniline; m-Anisidine HL 4.204 25 0.0 None 04MSM -7.0 -4.3 04MSM
86 3-Methoxybenzoic acid HL 4.090 25 0.0 None 04MSM -0.05 18.6 04MSM
86 3-Methoxybenzoic acid HL 3.82 25 0.1 None 04MSM -0.33 16.4 04MSM
63 3-Methoxyphenol HL 9.652 25 0.0 None 04MSM -5.06 27.2 04MSM
37 3-Methylaniline; m-Toluidine HL 4.712 25 0.0 None 04MSM -7.37 -3.2 04MSM
25 3-Methylpyridine; 3-Picoline HL 5.68 25 0.0 None 04MSM -5.7 7.0 04MSM
25 3-Methylpyridine; 3-Picoline HL 5.72 25 0.1 None 04MSM None
25 3-Methylpyridine; 3-Picoline HL 5.80 25 0.5 None 04MSM -6.04 6.3 04MSM
105 4-Bromophenol HL 9.347 25 0.0 None 04MSM -5.74 23.5 04MSM
105 4-Bromophenol HL 9.08 25 0.1 None 04MSM None
105 4-Bromophenol HL 9.02 25 0.5 None 04MSM None
67 4-Chlorophenol HL 9.426 25 0.0 None 04MSM -5.70 24.0 04MSM
67 4-Chlorophenol HL 9.20 25 0.1 None 04MSM -6.1 21.7 04MSM
48 4-Fluorophenol HL 9.908 25 0.0 None 04MSM None
48 4-Fluorophenol HL 9.46 25 0.1 None 04MSM None
124 4-Hydroxybenzaldehyde HL 7.616 25 0.0 None 04MSM -4.10 21.1 04MSM
124 4-Hydroxybenzaldehyde HL 7.41 25 None 04MSM -4.0 20.5 04MSM
53 4-Hydroxybenzonitrile; 4-Cyanophenol HL 7.74 25 0.1 None 04MSM -4.8 19.1 04MSM
61 4-Methoxyaniline; p-Anisidine HL 5.357 25 0.0 None 04MSM -8.3 -3.4 04MSM
61 4-Methoxyaniline; p-Anisidine HL 5.33 25 0.1 None 04MSM None
84 4-Methoxybenzoic acid; p-Anisic acid HL 4.475 25 0.0 None 04MSM -0.57 18.6 04MSM
84 4-Methoxybenzoic acid; p-Anisic acid HL 4.26 25 0.1 None 04MSM 17 04MSM
126 4-Methylaniline; p-Toluidine HL 5.09 25 0.1 None 04MSM None
127 4-Methylmorpholine; N-Methylmorpholine HL 7.40 25 0.0 None 04MSM -6.3 12.7 04MSM
127 4-Methylmorpholine; N-Methylmorpholine HL 7.58 25 0.5 None 04MSM -6.50 12.9 04MSM
103 4-Methylpyridine; 4-Picoline HL 6.00 25 0.0 None 04MSM -6.05 7.2 04MSM
103 4-Methylpyridine; 4-Picoline HL 6.05 25 0.1 None 04MSM None
103 4-Methylpyridine; 4-Picoline HL 6.10 25 0.5 None 04MSM -6.44 6.3 04MSM
103 4-Methylpyridine; 4-Picoline HL 6.19 25 1.0 None 04MSM None
128 4-Nitroaniline HL 1.015 25 0.0 None 04MSM -3.8 -8.1 04MSM
128 4-Nitroaniline HL 1.04 25 0.1 None 04MSM None
76 4-Nitrophenol HL 6.96 25 0.1 None 04MSM -4.8 15.8 04MSM
35 4-Pyridinecarboxaldehyde H5L6 12.2 20 0.1 None 04MSM None
35 4-Pyridinecarboxaldehyde HL 4.77 20 0.1 None 04MSM None
83 4-tert-Butylphenol; 4-(2-Methyl-2-propyl)phenol HL 10.31 25 0.0 None 04MSM None
121 Acetic acid HL 4.757 25 0.0 None 04MSM 0.10 22.1 04MSM
121 Acetic acid HL 4.56 25 0.1 None 04MSM -0.10 20.5 04MSM
121 Acetic acid HL 4.50 25 0.5 None 04MSM -0.22 19.9 04MSM
121 Acetic acid HL 4.52 25 1.0 NaClO4 04MSM -0.34 19.9 04MSM
121 Acetic acid HL 4.80 25 2.0 NaClO4 04MSM None
121 Acetic acid HL 5.015 25 3.0 NaClO4 04MSM -0.73 20.5 04MSM
24 Aniline HL 4.601 25 0.0 None 04MSM -7.25 -3.4 04MSM
24 Aniline HL 4.64 25 0.1 None 04MSM -7.35 -3.4 04MSM
24 Aniline HL 4.71 25 0.5 None 04MSM -7.64 -4.1 04MSM
24 Aniline HL 4.78 25 1.0 None 04MSM None
133 Benzylamine HL 9.35 25 0.0 None 04MSM -12.98 -1.0 04MSM
133 Benzylamine HL 9.40 25 0.1 None 04MSM -13.09 -0.9 04MSM
133 Benzylamine HL 9.46 25 0.5 None None None
45 Benzenethiol; Thiophenol HL 6.615 25 0.0 None 04MSM -4.0 16.9 12MNSol
45 Benzenethiol; Thiophenol HL 6.46 25 0.1 None 04MSM None
45 Benzenethiol; Thiophenol HL 6.43 25 1.0 None 04MSM None
57 Benzoic acid HL 4.202 25 0.0 None 04MSM -0.11 18.9 04MSM
57 Benzoic acid HL 4.01 25 0.1 None 04MSM -0.18 17.8 04MSM
57 Benzoic acid HL 4.03 25 1.0 NaClO4 04MSM -0.31 17.4 04MSM
102 Butanoic acid; Butyric acid HL 4.854 25 0.0 None 04MSM 0.69 24.4 04MSM
102 Butanoic acid; Butyric acid HL 4.62 25 0.1 None 04MSM None
102 Butanoic acid; Butyric acid HL 4.56 18 0.5 None 04MSM None
102 Butanoic acid; Butyric acid HL 4.68 25 1.0 None 04MSM None
106 Butylamine HL 10.640 25 0.0 None 04MSM -13.93 2.0 04MSM
106 Butylamine HL 10.66 25 0.1 None 04MSM -14.00 1.9 04MSM
106 Butylamine HL 10.75 25 0.5 KNO3 04MSM None
27 Cyclohexylamine HL 10.567 25 0.0 None 04MSM None
27 Cyclohexylamine HL 10.62 25 0.1 None 04MSM -14.32 0.3 04MSM
16 Diethylamine HL 11.00 25 0.0 None 04MSM -12.70 7.7 04MSM
16 Diethylamine HL 11.04 25 0.1 None 04MSM None
16 Diethylamine HL 11.23 25 1.0 None 04MSM None
6 Dimethylamine HL 10.774 25 0.0 None 04MSM -11.93 9.3 04MSM
6 Dimethylamine HL 10.81 25 0.1 None 04MSM -12.0 9.2 04MSM
6 Dimethylamine HL 10.89 25 0.5 None 04MSM None
6 Dimethylamine HL 11.00 25 1.0 None 04MSM None
7 Ethylamine HL 10.673 25 0.0 None 04MSM -13.65 3.0 04MSM
7 Ethylamine HL 10.69 25 0.1 None 04MSM -13.70 2.9 04MSM
7 Ethylamine HL 10.72 25 0.5 None 04MSM None
7 Ethylamine HL 10.83 25 1.0 None 04MSM None
52 Hexanoic acid HL 4.857 25 0.0 None 04MSM 0.64 24.4 04MSM
31 Hexylamine HL 10.630 25 0.0 None 04MSM -14.02 1.6 04MSM
31 Hexylamine HL 10.64 25 0.1 None 04MSM None
118 Hydrazine HL 7.98 25 0.0 None 04MSM -9.97 3.0 04MSM
3 Hydrogen peroxide HL 11.65 25 0.0 None 04MSM -7.6 28 04MSM
3 Hydrogen peroxide HL 11.38 25 0.1 None 04MSM -7.4 04MSM
4 Hydrogen sulfide HL 7.02 25 0.0 None 04MSM -5.3 14.3 None
123 Imidazole HL6 14.5 25 0.0 None 04MSM -14.6 17.3 04MSM
123 Imidazole HL6 14.3 25 0.5 None 04MSM -14.9 15.4 04MSM
99 Methylamine HL 10.632 25 0.0 None 04MSM -13.2 4.3 04MSM
99 Methylamine HL 10.65 25 0.1 None 04MSM -13.3 4.1 04MSM
99 Methylamine HL 10.72 25 0.5 None 04MSM None
99 Methylamine HL 10.84 25 1.0 None 04MSM None
22 Morpholine HL 8.492 25 0.0 None 04MSM -9.3 7.6 04MSM
22 Morpholine HL 8.60 25 0.5 None 04MSM -9.83 6.3 04MSM
110 N,N-Dimethylaniline HL 5.150 25 0.0 None 04MSM -4.92 7.1 04MSM
56 N-Ethylaniline HL 5.252 25 0.0 None 04MSM -6.3 2.9 04MSM
98 N-Methylaniline HL 4.832 25 0.0 None 04MSM -6.0 2.0 04MSM
17 Nitroethane HL 8.57 25 0.0 None 04MSM -2.4 31.2 04MSM
116 Nitromethane HL 10.2 25 0.0 None 04MSM -5.9 26.9 04MSM
117 Pentanoic acid HL 4.843 25 0.0 None 04MSM 0.68 24.5 04MSM
101 Pentylamine HL 10.597 25 0.0 None 04MSM -13.98 1.6 04MSM
101 Pentylamine HL 10.63 25 0.1 None 04MSM 1.0 04MSM
101 Pentylamine HL 10.75 25 0.5 None 04MSM None
108 Phenol HL 9.997 25 0.0 None 04MSM -5.57 27.1 04MSM
108 Phenol HL 9.79 25 0.1 None 04MSM -5.88 25.0 04MSM
108 Phenol HL 9.64 25 0.5 None 04MSM None
108 Phenol HL 9.82 25 1.0 None 04MSM -6.49 23.2 04MSM
21 Piperazine; 1,4-Diazacyclohexane HL 9.731 25 0.0 None 04MSM -10.25 10.2 04MSM
21 Piperazine; 1,4-Diazacyclohexane HL 9.74 25 0.1 None 04MSM -10.3 10.0 04MSM
21 Piperazine; 1,4-Diazacyclohexane HL 10.01 25 1.0 None 04MSM -10.40 10.9 04MSM
21 Piperazine; 1,4-Diazacyclohexane H2L 5.333 25 0.0 None 04MSM -7.4 -0.5 04MSM
21 Piperazine; 1,4-Diazacyclohexane H2L 5.64 25 0.1 None 04MSM -7.0 2.1 04MSM
21 Piperazine; 1,4-Diazacyclohexane H2L 6.04 25 1.0 None 04MSM -8.03 0.7 04MSM
20 Piperidine; Azacyclohexane HL 11.125 25 0.0 None 04MSM -12.70 8.3 04MSM
20 Piperidine; Azacyclohexane HL 11.12 25 0.5 None 04MSM -13.17 6.7 04MSM
129 Propanoic acid; Propionic acid HL 4.874 25 0.0 None 04MSM 0.18 22.9 04MSM
129 Propanoic acid; Propionic acid HL 4.73 25 1.0 NaClO4 04MSM None
129 Propanoic acid; Propionic acid HL 4.89 25 2.0 NaClO4 04MSM None
129 Propanoic acid; Propionic acid HL 5.16 25 3.0 NaClO4 04MSM None
129 Propanoic acid; Propionic acid HL 4.69 25 0.1 None 04MSM 22.0 04MSM
10 Propylamine HL 10.566 25 0.0 None 04MSM -13.76 2.2 04MSM
10 Propylamine HL 10.64 25 0.1 None 04MSM -13.80 04MSM
111 Pyridine HL 5.20 25 0.0 None 04MSM -4.9 7.4 04MSM
111 Pyridine HL 5.34 25 0.5 None 04MSM -5.1 7.3 04MSM
15 Pyrrolidine; Azacyclopentane HL 11.305 25 0.0 None 04MSM -12.9 8.4 04MSM
15 Pyrrolidine; Azacyclopentane HL 11.48 25 0.5 None 04MSM -13.04 8.8 04MSM
71 Quinoline HL 4.81 25 0.0 None 04MSM -5.4 3.9 04MSM
58 Salicylaldehyde HL 8.374 25 0.0 None 04MSM -4.99 21.6 04MSM
58 Salicylaldehyde HL 8.80 25 3.0 NaClO4 04MSM -6.3 19.1 04MSM
32 Triethylamine HL 10.715 25 0.0 None 04MSM -10.31 14.4 04MSM
32 Triethylamine HL 10.76 25 0.1 None 04MSM -10.38 14.4 04MSM
32 Triethylamine HL 10.81 25 0.5 None 04MSM None
104 Trimethylamine HL 9.799 25 0.0 None 04MSM -8.74 15.5 04MSM
104 Trimethylamine HL 9.82 25 0.1 None 04MSM -9.0 14.7 04MSM
46 Uracil HL 9.46 25 0.0 None 04MSM -7.8 16.9 04MSM
11 Urea; Carbamide HL 0.10 25 0.1 None 04MSM -1 -2 04MSM
130 Water HL 13.997 25 0.0 None 04MSM -13.34 19.3 04MSM
130 Water HL 13.71 25 1.0 NaCl 04MSM -13.71 16.7 04MSM
130 Water HL 14.20 25 3.0 NaClO4 04MSM -13.08 21.1 04MSM
43 m-Cresol HL 10.095 25 0.0 None 04MSM -5.56 27.6 04MSM
122 o-Cresol HL 10.31 25 0.0 None 04MSM -5.72 28.0 04MSM
122 o-Cresol HL 10.09 25 0.1 None 04MSM None
109 p-Cresol HL 10.269 25 0.0 None 04MSM -5.6 28.2 04MSM
109 p-Cresol HL 10.04 25 0.1 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine HL 10.67 25 0.1 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine HL 10.42 25 0.5 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine HL 10.50 25 1.0 NaCl 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H2L 7.96 25 0.1 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H2L 7.88 25 0.5 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H2L 8.01 25 1.0 NaCl 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H3L 1.9 25 0.1 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H3L 1.9 25 0.5 None 04MSM None
134 Penicillamine; 3-Mercapto-D-valine H3L 2.00 25 1.0 NaCl 04MSM None
134 Penicillamine; 3-Mercapto-D-valine HL 10.89 25 0.0 None 11CFFS None
134 Penicillamine; 3-Mercapto-D-valine H2L 8.04 25 0.0 None 11CFFS None
134 Penicillamine; 3-Mercapto-D-valine H3L 1.76 25 0.0 None 11CFFS None
94 Cysteine HL 10.87 25 0.0 None 11CFFS None
94 Cysteine HL 8.52 25 0.0 None 11CFFS None
94 Cysteine HL 2.29 25 0.0 None 11CFFS None
135 Glutathione HL 9.51 25 0.1 None 04MSM None
135 Glutathione HL 9.88 25 3.0 NaClO4 04MSM -8.9 15.3 04MSM
135 Glutathione H2L 8.64 25 0.1 None 04MSM None
135 Glutathione H2L 9.16 25 3.0 NaClO4 04MSM -8.4 13.7 04MSM
135 Glutathione H3L 3.49 25 0.1 None 04MSM None
135 Glutathione H3L 3.50 25 1.0 None 04MSM -2.5 7.6 04MSM
135 Glutathione H3L 3.82 25 3.0 NaClO4 04MSM -0.4 16.2 04MSM
135 Glutathione H4L 2.08 25 0.1 None 04MSM None
135 Glutathione H4L 2.28 25 1.0 None 04MSM -0.3 9.4 04MSM
135 Glutathione H4L 2.59 25 3.0 NaClO4 04MSM -1.1 8.2 04MSM
152 Mercaptosuccinic acid; Thiomalic acid HL 10.40 25 0.1 None 04MSM -5 31 04MSM
152 Mercaptosuccinic acid; Thiomalic acid H2L 4.58 25 0.1 None 04MSM 1 24 04MSM
152 Mercaptosuccinic acid; Thiomalic acid H3L 3.07 25 0.1 None 04MSM 2 21 04MSM
152 Mercaptosuccinic acid; Thiomalic acid HL 10.34 25 0.1 NaNO3 11CCFGS -4.90 11CCFGS
152 Mercaptosuccinic acid; Thiomalic acid H2L 4.59 25 0.1 NaNO3 11CCFGS 0.28 11CCFGS
152 Mercaptosuccinic acid; Thiomalic acid H3L 3.22 25 0.1 NaNO3 11CCFGS 0.05 11CCFGS
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid HL 10.70 25 0.0 None 04MSM None
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid HL 10.11 25 0.1 None 04MSM None
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid HL 9.93 25 0.5 None 04MSM -5.74 26.2 04MSM
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid H2L 3.69 25 0.0 None 04MSM None
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid H2L 3.49 25 0.1 None 04MSM None
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid H2L 3.38 25 0.5 None 04MSM 0.49 17.1 04MSM
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid HL 10.020 25 0.1 NaNO3 11CCFGS -4.18 11CCFGS
150 2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid H2L 3.521 25 0.1 NaNO3 11CCFGS -2.99 11CCFGS
151 3-Mercaptopropanoic acid HL 10.106 25 0.1 NaNO3 11CCFGS -4.99 11CCFGS
151 3-Mercaptopropanoic acid H2L 4.175 25 0.1 NaNO3 11CCFGS -0.52 11CCFGS
151 3-Mercaptopropanoic acid HL 10.84 25 0.0 None 04MSM None
151 3-Mercaptopropanoic acid HL 10.25 25 0.1 None 04MSM -6.1 26.4 04MSM
151 3-Mercaptopropanoic acid HL 10.10 25 0.5 None 04MSM None
151 3-Mercaptopropanoic acid H2L 4.33 25 0.0 None 04MSM None
151 3-Mercaptopropanoic acid H2L 4.21 25 0.1 None 04MSM None
151 3-Mercaptopropanoic acid H2L 4.15 25 0.5 None 04MSM 18.1 04MSM
151 3-Mercaptopropanoic acid H2L 25 1.0 KCl 04MSM -0.28 04MSM


References

RefID Reference
17CRC0524 "Dissociation Constants of Inorganic Acids and Bases," in CRC Handbook of Chemistry and Physics, 97th Edition (Internet Version 2017), W. M. Haynes, ed., CRC Press/Taylor & Francis, Boca Raton, FL.
17CRC0525 "Dissociation Constants of Organic Acids and Bases," in CRC Handbook of Chemistry and Physics, 97th Edition (Internet Version 2017), W. M. Haynes, ed., CRC Press/Taylor & Francis, Boca Raton, FL.
12MNSol Marenich et al., Minnesota Solvation Database-version 2012.
04MSM Martell, A. E.; Smith, R. M.; Motekaitis, R. J., Database 46: NIST Critically Selected Stability Constants of Metal Complexes, Version 8
11CFFS Cardiano, P.; Falcone, G.; Foti, C.; Sammartano, S. Sequestration of Hg2+ by Some Biologically Important Thiols, J. Chem. Eng. Data, 2011, 56, 4741.
11CCFGS Cardiano, P.; Cucinotta, D.; Foti, C.; Giuffre, O.; Sammartano, S. Potentiometric, Calorimetric, and 1H NMR Investigation on Hg2+-Mercaptocarboxylate Interaction in Aqueous Solution, J. Chem. Eng. Data, 2011, 56, 1995-2004.