- InChI
- InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
- InChI Key
- HQGPKMSGXAUKHT-UHFFFAOYSA-N
- Formula
- C6H9NO3
- SMILES
- COC(=O)C1CCC(=O)N1
- Molecular Weight1
- 143.14
- CAS
- 54571-66-3
- Other Names
-
- 2-Pyrrolidone-5-carboxylic acid, methyl ester
- Methyl 5-oxoprolinate
- methyl 5-oxo-DL-prolinate
- 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).
- Inp : Non-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° | -232.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.37 | kJ/mol | Joback Calculated Property |
| log10WS | -0.17 | Crippen Calculated Property | |
| logPoct/wat | -0.562 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Inp | [1390.90; 1392.20] |
|
|
| Inp | 1390.90 | NIST | |
| Inp | 1392.20 | NIST | |
| Inp | 1390.90 | NIST | |
| Tboil | 544.62 | K | Joback Calculated Property |
| Tc | 776.69 | K | Joback Calculated Property |
| Tfus | 413.69 | K | Joback Calculated Property |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.27; 310.21] | J/mol×K | [544.62; 776.69] |
|
| Cp,gas | 242.27 | J/mol×K | 544.62 | Joback Calculated Property |
| Cp,gas | 255.13 | J/mol×K | 583.30 | Joback Calculated Property |
| Cp,gas | 267.43 | J/mol×K | 621.98 | Joback Calculated Property |
| Cp,gas | 279.12 | J/mol×K | 660.66 | Joback Calculated Property |
| Cp,gas | 290.17 | J/mol×K | 699.33 | Joback Calculated Property |
| Cp,gas | 300.55 | J/mol×K | 738.01 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 776.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Proline, 5-oxo-, methyl ester.
Sources
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