- InChI
- InChI=1S/C12H20ClNO3/c1-2-17-12(16)10-6-5-9-14(10)11(15)7-3-4-8-13/h10H,2-9H2,1H3
- InChI Key
- IHJNGLPPONDQNW-UHFFFAOYSA-N
- Formula
- C12H20ClNO3
- SMILES
- CCOC(=O)C1CCCN1C(=O)CCCCCl
- Molecular Weight1
- 261.75
- 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 | 0.6657 | Relay (... Calculated Property | |
| ΔfG° | -251.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -686.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -1.75 | Relay (... Calculated Property | |
| logPoct/wat | 1.950 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1936.53 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 583.81 | K | Relay (... Calculated Property |
| Tc | 802.88 | K | Relay (... Calculated Property |
| Tfus | 318.21 | K | Relay (... Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(5-chlorovaleryl)-, ethyl 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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