- InChI
- InChI=1S/C19H36ClNO3/c1-4-5-6-7-8-9-12-15-24-19(23)18(16(2)3)21-17(22)13-10-11-14-20/h16,18H,4-15H2,1-3H3,(H,21,22)
- InChI Key
- PHYKVLYJPOAMRG-UHFFFAOYSA-N
- Formula
- C19H36ClNO3
- SMILES
-
CCCCCCCCCOC(=O)C(N=C(O)CCCCCl)
C(C)C - Molecular Weight1
- 361.95
- 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 | 1.0795 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -907.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.670 | Crippen Calculated Property | |
| McVol | 309.800 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Inp | [2545.00; 2545.00] |
|
|
| Inp | 2545.00 | NIST | |
| Inp | 2545.00 | NIST | |
| Tboil | 623.73 | K | Relay (1.0) Calculated Property |
| Tc | 832.60 | K | Relay (1.0) Calculated Property |
| Tfus | 371.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, nonyl 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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