Experimental data for molecule 12
Basic Information
| MolID |
PubChemID |
Name |
PhrName |
Formula |
Mol Weight (g/mol) |
Charge |
CAS |
InChiKey |
SMILES |
IUPAC Name |
| 12 |
3301 |
1,2-Ethanediamine; Ethylenediamine |
Amine_oooohd |
C2H8N2 |
60.1 |
0 |
107-15-3 |
PIICEJLVQHRZGT-UHFFFAOYSA-N |
C(CN)N |
ethane-1,2-diamine |
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 |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML |
M; L |
25 |
0.1 |
|
14.3 |
|
17.8 |
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML |
M; L |
25 |
1.0 |
None |
14.3 |
|
|
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML |
M; L |
25 |
3.0 |
NaClO4 |
16.75 |
|
|
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML |
M; L |
25 |
0.0 |
None |
|
-14.2 |
|
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML2 |
M; L; L |
25 |
0.1 |
None |
23.19 |
|
4.1 |
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML2 |
M; L; L |
25 |
1.0 |
None |
23.44 |
|
|
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML2 |
M; L; L |
25 |
3.0 |
NaClO4 |
25.97 |
|
|
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
Hg2+ |
logK |
ML2 |
M; L; L |
25 |
0.0 |
None |
|
-30.4 |
|
|
04MSM |
Solvation Free Energy
| MolID |
Name |
ΔGsolv (kcal/mol) |
Reference |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
-9.72 |
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 |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
HL |
9.92 |
25 |
|
None |
17CRC0525 |
|
|
|
None |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
H2L |
6.86 |
25 |
|
None |
17CRC0525 |
|
|
|
None |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
HL |
9.928 |
25 |
0.0 |
None |
04MSM |
-11.8 |
5.8 |
|
04MSM |
| 12 |
1,2-Ethanediamine; Ethylenediamine |
H2L |
6.848 |
25 |
0.0 |
None |
04MSM |
-10.8 |
-4.9 |
|
04MSM |
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. |
| 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 |
