- InChI
- InChI=1S/C20H36ClNO4/c1-2-3-4-5-6-10-15-25-19(23)18(17-12-8-7-9-13-17)22-20(24)26-16-11-14-21/h17-18H,2-16H2,1H3,(H,22,24)
- InChI Key
- GLILSDAECHOUDG-UHFFFAOYSA-N
- Formula
- C20H36ClNO4
- SMILES
-
CCCCCCCCOC(=O)C(N=C(O)OCCCCl)C
1CCCCC1 - Molecular Weight1
- 389.96
- 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 | 1.1073 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1056.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.399 | Crippen Calculated Property | |
| McVol | 318.900 | ml/mol | McGowan Calculated Property |
| Pc | 1156.14 | kPa | Joback Calculated Property |
| Inp | [2676.00; 2676.00] |
|
|
| Inp | 2676.00 | NIST | |
| Inp | 2676.00 | NIST | |
| Tboil | 655.02 | K | Relay (1.0) Calculated Property |
| Tc | 881.01 | K | Relay (1.0) Calculated Property |
| Tfus | 340.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(3-chloropropoxycarbonyl)-, octyl 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
- Joback Method
- McGowan Method
- NIST Webbook
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