- InChI
- InChI=1S/C13H14ClNO3/c1-18-13(17)11-6-3-7-15(11)12(16)9-4-2-5-10(14)8-9/h2,4-5,8,11H,3,6-7H2,1H3
- InChI Key
- GAJYHLOGZCPBPV-UHFFFAOYSA-N
- Formula
- C13H14ClNO3
- SMILES
-
COC(=O)C1CCCN1C(=O)c1cccc(Cl)c
1 - Molecular Weight1
- 267.71
- 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 | 0.5843 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -450.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 190.640 | ml/mol | McGowan Calculated Property |
| Pc | 2200.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2015.00; 2015.00] |
|
|
| Inp | 2015.00 | NIST | |
| Inp | 2015.00 | NIST | |
| Tboil | 619.25 | K | Relay (1.0) Calculated Property |
| Tc | 852.41 | K | Relay (1.0) Calculated Property |
| Tfus | 323.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-chlorobenzoyl)-, 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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