Experimental data for molecule 4
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 4 |
402 |
Hydrogen sulfide |
|
H2S |
34.081 |
0 |
7783-06-4 |
RWSOTUBLDIXVET-UHFFFAOYSA-N |
S |
sulfane |
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 |
| 4 |
Hydrogen sulfide |
Hg2+ |
logK |
ML |
M; L |
20 |
1.0 |
None |
37.71 |
|
|
|
None |
| 4 |
Hydrogen sulfide |
Hg2+ |
logK |
MLH2 |
M; H2L |
20 |
1.0 |
None |
6.19 |
|
|
|
None |
| 4 |
Hydrogen sulfide |
Hg2+ |
logK |
ML2H |
ML2; H |
20 |
1.0 |
None |
8.30 |
|
|
|
None |
Solvation Free Energy
| MolID |
Name |
ΔGsolv (kcal/mol) |
Reference |
| 4 |
Hydrogen sulfide |
-0.7 |
13FreeSolv |
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 |
| 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 |
| 4 |
Hydrogen sulfide |
HL |
7.02 |
25 |
0.0 |
None |
04MSM |
-5.3 |
14.3 |
|
None |
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. |
| 13FreeSolv |
David L. Mobley, Experimental and Calculated Small Molecule Hydration Free Energies. eScholarship. Version 0.32. |
|
|
| 04MSM |
Martell, A. E.; Smith, R. M.; Motekaitis, R. J., Database 46: NIST Critically Selected Stability Constants of Metal Complexes, Version 8 |
