- 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
- 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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -523.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.562 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Inp | [1390.90; 1392.20] |
|
|
| Inp | 1390.90 | NIST | |
| Inp | 1392.20 | NIST | |
| Inp | 1390.90 | NIST | |
| Tboil | 544.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.36; 350.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.57100e+01 | |||
| Coefficient B | 4.69020e-01 | |||
| Coefficient C | -3.08000e-05 | |||
| Coefficient D | -1.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 287.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 326.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 340.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 350.63 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-OXO-PYRROLIDINE-2-CARBOXYLIC ACID, METHYL ESTER.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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