Experimental data for molecule 3
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 3 |
784 |
Hydrogen peroxide |
|
H2O2 |
34.014 |
0 |
7722-84-1 |
MHAJPDPJQMAIIY-UHFFFAOYSA-N |
OO |
hydrogen peroxide |
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 |
Solvation Free Energy
| MolID |
Name |
ΔGsolv (kcal/mol) |
Reference |
| 3 |
Hydrogen peroxide |
-8.58 |
12MNSol |
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 |
| 3 |
Hydrogen peroxide |
HL |
11.62 |
25.0 |
0.0 |
None |
17CRC0524 |
|
|
|
None |
| 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 |
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. |
| 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 |
