- InChI
- InChI=1S/C14H17NO4/c1-18-11-6-3-5-10(9-11)13(16)15-8-4-7-12(15)14(17)19-2/h3,5-6,9,12H,4,7-8H2,1-2H3
- InChI Key
- VBOFDAWUWYXRJT-UHFFFAOYSA-N
- Formula
- C14H17NO4
- SMILES
-
COC(=O)C1CCCN1C(=O)c1cccc(OC)c
1 - Molecular Weight1
- 263.29
- 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 | 0.6691 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -547.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.473 | Crippen Calculated Property | |
| McVol | 198.360 | ml/mol | McGowan Calculated Property |
| Pc | 1960.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2133.00; 2133.00] |
|
|
| Inp | 2133.00 | NIST | |
| Inp | 2133.00 | NIST | |
| Tboil | 630.25 | K | Relay (1.0) Calculated Property |
| Tc | 855.54 | K | Relay (1.0) Calculated Property |
| Tfus | 339.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, N-(m-anisoyl)-, 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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