Experimental data for molecule 150
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 150 |
62326 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
|
C3H6O2S |
106.139 |
0 |
79-42-5 |
PMNLUUOXGOOLSP-UHFFFAOYSA-N |
CC(C(=O)O)S |
2-sulfanylpropanoic 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 |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
MLH |
M; L; H |
25 |
0.0 |
None |
37.3 |
|
|
|
11CCFGS |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
MLH |
M; L; H |
25 |
0.1 |
NaNO3 |
36.33 |
-32.1 |
58.5 |
-49.55 |
11CCFGS |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
ML |
M; L |
25 |
0.0 |
None |
35.1 |
|
|
|
11CCFGS |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
ML |
M; L |
25 |
0.1 |
NaNO3 |
34.17 |
-32.5 |
47.3 |
-46.61 |
11CCFGS |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
ML2 |
M; L; L |
25 |
0.0 |
None |
43.6 |
|
|
|
11CCFGS |
| 150 |
2-Mercaptopropanoic acid; 2-Mercaptopropionic acid; Thiolactic acid |
Hg2+ |
logβ |
ML2 |
M; L; L |
25 |
0.1 |
NaNO3 |
42.68 |
-41.1 |
57.7 |
-58.22 |
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 |
| 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 |
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 |
|
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