- InChI
- InChI=1S/C11H18ClNO3/c1-16-11(15)9-5-4-8-13(9)10(14)6-2-3-7-12/h9H,2-8H2,1H3
- InChI Key
- OBAXQHFPWSIRJV-UHFFFAOYSA-N
- Formula
- C11H18ClNO3
- SMILES
- COC(=O)C1CCCN1C(=O)CCCCCl
- Molecular Weight1
- 247.72
- 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 | 0.6315 | Relay (... Calculated Property | |
| ΔfG° | -225.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -652.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.09 | eV | Relay (... Calculated Property |
| log10WS | -1.34 | Relay (... Calculated Property | |
| logPoct/wat | 1.560 | Crippen Calculated Property | |
| McVol | 186.220 | ml/mol | McGowan Calculated Property |
| Pc | 2234.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1886.00; 1886.00] |
|
|
| Inp | 1886.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Tboil | 574.64 | K | Relay (... Calculated Property |
| Tc | 797.29 | K | Relay (... Calculated Property |
| Tfus | 328.96 | K | Relay (... Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, N-(5-chlorovaleryl)-, 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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