Experimental data for molecule 7
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 7 |
6341 |
Ethylamine |
Amine_oooogi |
C2H7N |
45.085 |
0 |
75-04-7 |
QUSNBJAOOMFDIB-UHFFFAOYSA-N |
CCN |
ethanamine |
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 |
| 7 |
Ethylamine |
Hg2+ |
logβ |
ML |
M; L |
25 |
0.5 |
None |
8.90 |
|
|
|
04MSM |
| 7 |
Ethylamine |
Hg2+ |
logβ |
ML2 |
M; L; L |
25 |
0.5 |
None |
18.44 |
|
|
|
04MSM |
Solvation Free Energy
| MolID |
Name |
ΔGsolv (kcal/mol) |
Reference |
| 7 |
Ethylamine |
-4.5 |
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 |
| 7 |
Ethylamine |
HL |
10.65 |
25.0 |
|
None |
17CRC0525 |
|
|
|
None |
| 7 |
Ethylamine |
HL |
10.673 |
25 |
0.0 |
None |
04MSM |
-13.65 |
3.0 |
|
04MSM |
| 7 |
Ethylamine |
HL |
10.69 |
25 |
0.1 |
None |
04MSM |
-13.70 |
2.9 |
|
04MSM |
| 7 |
Ethylamine |
HL |
10.72 |
25 |
0.5 |
None |
04MSM |
|
|
|
None |
| 7 |
Ethylamine |
HL |
10.83 |
25 |
1.0 |
None |
04MSM |
|
|
|
None |
References
| RefID |
Reference |
| 17CRC0525 |
"Dissociation Constants of Organic 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 |
