- InChI
- InChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3
- InChI Key
- WBXUFOSSZLFNPQ-UHFFFAOYSA-N
- Formula
- C7H13NO2
- SMILES
- COC(=O)C1CCCN1C
- Molecular Weight1
- 143.18
- CAS
- 27957-91-1
- Other Names
-
- Proline, 1-methyl-, methyl ester, L-
- Methyl (-)-hygrate
- Methyl 1-methyl-2-pyrrolidinecarboxylate, (L)-
- Proline, 1-methyl, methyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3977 | Relay (... Calculated Property | |
| ΔfG° | -127.33 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -361.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 57.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | 0.68 | Relay (... Calculated Property | |
| logPoct/wat | 0.254 | Crippen Calculated Property | |
| McVol | 116.050 | ml/mol | McGowan Calculated Property |
| Pc | 3184.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1017.00 | NIST | |
| Tboil | 444.95 | K | Relay (... Calculated Property |
| Tc | 659.22 | K | Relay (... Calculated Property |
| Tfus | 283.54 | K | Relay (... Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, 1-methyl-, 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
- McGowan Method
- NIST Webbook
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