Experimental data for molecule 152
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 152 |
6268 |
Mercaptosuccinic acid; Thiomalic acid |
|
C4H6O4S |
150.148 |
0 |
70-49-5 |
NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
C(C(C(=O)O)S)C(=O)O |
2-sulfanylbutanedioic acid |
Stability Constants
| MolID |
Name |
Metal |
Constant |
Species |
Reactants |
T (°C) |
Ionic Strength (M) |
Electrolyte |
logβ (or logK) |
ΔrH° (kcal/mol) |
ΔrS° (kcal/mol) |
ΔrG° (kcal/mol) |
Ref. for Thermal Dynamics Data |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logK |
ML |
M; L |
25 |
0.1 |
None |
9.94 |
|
|
|
04MSM |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logK |
ML2 |
M; L; L |
25 |
0.1 |
None |
18.1 |
|
|
|
04MSM |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
MLH |
M; L; H |
25 |
0.0 |
None |
40.5 |
|
|
|
11CCFGS |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
MLH |
M; L; H |
25 |
0.1 |
NaNO3 |
39.00 |
-34.4 |
63.3 |
53.20 |
11CCFGS |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
ML |
M; L |
25 |
0.0 |
None |
36.4 |
|
|
|
11CCFGS |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
ML |
M; L |
25 |
0.1 |
NaNO3 |
35.10 |
-30.6 |
57.7 |
47.90 |
11CCFGS |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
ML2 |
M; L; L |
25 |
0.0 |
None |
43.6 |
|
|
|
11CCFGS |
| 152 |
Mercaptosuccinic acid; Thiomalic acid |
Hg2+ |
logβ |
ML2 |
M; L; L |
25 |
0.1 |
NaNO3 |
42.92 |
-39.9 |
62.5 |
58.6 |
11CCFGS |
Solvation Free Energy
| MolID |
Name |
ΔGsolv (kcal/mol) |
Reference |
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 |
| 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 |
References
| RefID |
Reference |
| 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. |
| 04MSM |
Martell, A. E.; Smith, R. M.; Motekaitis, R. J., Database 46: NIST Critically Selected Stability Constants of Metal Complexes, Version 8 |
