- InChI
- InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
- InChI Key
- ODHCTXKNWHHXJC-UHFFFAOYSA-N
- Formula
- C5H7NO3
- SMILES
- O=C1CCC(C(=O)O)N1
- Molecular Weight1
- 129.11
- CAS
- 149-87-1
- Other Names
-
- DL-Pyroglutamic acid
- 2-Pyrrolidone-5-carboxylic acid
- DL-5-Oxoproline
- 5-oxo-DL-proline
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | -272.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.41 | kJ/mol | Joback Calculated Property |
| log10WS | 0.01 | Crippen Calculated Property | |
| logPoct/wat | -0.650 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 5889.94 | kPa | Joback Calculated Property |
| Tboil | 591.50 | K | Joback Calculated Property |
| Tc | 811.70 | K | Joback Calculated Property |
| Tfus | 441.01 | K | Joback Calculated Property |
| Vc | 0.326 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.24; 271.63] | J/mol×K | [591.50; 811.70] | 
|
| Cp,gas | 220.24 | J/mol×K | 591.50 | Joback Calculated Property |
| Cp,gas | 230.15 | J/mol×K | 628.20 | Joback Calculated Property |
| Cp,gas | 239.54 | J/mol×K | 664.90 | Joback Calculated Property |
| Cp,gas | 248.40 | J/mol×K | 701.60 | Joback Calculated Property |
| Cp,gas | 256.72 | J/mol×K | 738.30 | Joback Calculated Property |
| Cp,gas | 264.47 | J/mol×K | 775.00 | Joback Calculated Property |
| Cp,gas | 271.63 | J/mol×K | 811.70 | Joback Calculated Property |
| ΔsubH | 133.00 ± 1.00 | kJ/mol | 405.00 | NIST |
Similar Compounds
Find more compounds similar to DL-Proline, 5-oxo-.
Sources
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