Experimental data for molecule 133
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 133 |
7504 |
Benzylamine |
Amine_oooaoh |
C7H9N |
107.156 |
0 |
100-46-9 |
WGQKYBSKWIADBV-UHFFFAOYSA-N |
C1=CC=C(C=C1)CN |
phenylmethanamine |
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 |
| 133 |
Benzylamine |
Hg2+ |
logK |
ML |
M; L |
25 |
0.1 |
None |
7.51 |
|
|
|
04MSM |
| 133 |
Benzylamine |
Hg2+ |
logK |
ML |
M; L; L |
25 |
0.1 |
None |
16.52 |
|
|
|
04MSM |
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 |
| 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 |
References
| RefID |
Reference |
| 04MSM |
Martell, A. E.; Smith, R. M.; Motekaitis, R. J., Database 46: NIST Critically Selected Stability Constants of Metal Complexes, Version 8 |
|
|
