- InChI
- InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)
- InChI Key
- AEFLONBTGZFSGQ-UHFFFAOYSA-N
- Formula
- C5H10N2O3
- SMILES
- NC(=O)C(N)CCC(=O)O
- Molecular Weight1
- 146.14
- CAS
- 328-48-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -272.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Joback Calculated Property |
| log10WS | 0.23 | Crippen Calculated Property | |
| logPoct/wat | -1.336 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 5422.51 | kPa | Joback Calculated Property |
| Tboil | 658.34 | K | Joback Calculated Property |
| Tc | 861.60 | K | Joback Calculated Property |
| Tfus | 458.31 | K | Joback Calculated Property |
| Vc | 0.399 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.78; 328.46] | J/mol×K | [658.34; 861.60] | 
|
| Cp,gas | 289.78 | J/mol×K | 658.34 | Joback Calculated Property |
| Cp,gas | 297.34 | J/mol×K | 692.22 | Joback Calculated Property |
| Cp,gas | 304.44 | J/mol×K | 726.09 | Joback Calculated Property |
| Cp,gas | 311.09 | J/mol×K | 759.97 | Joback Calculated Property |
| Cp,gas | 317.30 | J/mol×K | 793.85 | Joback Calculated Property |
| Cp,gas | 323.09 | J/mol×K | 827.72 | Joback Calculated Property |
| Cp,gas | 328.46 | J/mol×K | 861.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoglutamine.
Sources
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