- InChI
- InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)
- InChI Key
- PMLJIHNCYNOQEQ-UHFFFAOYSA-N
- Formula
- C4H8N2O3
- SMILES
- NC(=O)C(N)CC(=O)O
- Molecular Weight1
- 132.12
- 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).
- I : Polar retention indices.
- 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° | -281.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.56 | kJ/mol | Joback Calculated Property |
| log10WS | 0.65 | Crippen Calculated Property | |
| logPoct/wat | -1.726 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 6278.87 | kPa | Joback Calculated Property |
| I | [1973.00; 1973.00] |
|
|
| I | 1973.00 | NIST | |
| I | 1973.00 | NIST | |
| Tboil | 635.46 | K | Joback Calculated Property |
| Tc | 841.61 | K | Joback Calculated Property |
| Tfus | 447.04 | K | Joback Calculated Property |
| Vc | 0.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.85; 277.73] | J/mol×K | [635.46; 841.61] |
|
| Cp,gas | 243.85 | J/mol×K | 635.46 | Joback Calculated Property |
| Cp,gas | 250.50 | J/mol×K | 669.82 | Joback Calculated Property |
| Cp,gas | 256.73 | J/mol×K | 704.18 | Joback Calculated Property |
| Cp,gas | 262.56 | J/mol×K | 738.53 | Joback Calculated Property |
| Cp,gas | 268.00 | J/mol×K | 772.89 | Joback Calculated Property |
| Cp,gas | 273.05 | J/mol×K | 807.25 | Joback Calculated Property |
| Cp,gas | 277.73 | J/mol×K | 841.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoasparagine.
Sources
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