- InChI
- InChI=1S/C18H25ClFNO3/c1-11(2)7-6-10-24-18(23)16(12(3)4)21-17(22)13-8-5-9-14(19)15(13)20/h5,8-9,11-12,16H,6-7,10H2,1-4H3,(H,21,22)
- InChI Key
- TYBJGMNJVKIAJU-UHFFFAOYSA-N
- Formula
- C18H25ClFNO3
- SMILES
-
CC(C)CCCOC(=O)C(N=C(O)c1cccc(C
l)c1F)C(C)C - Molecular Weight1
- 357.85
- 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 | 0.9366 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -843.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.788 | Crippen Calculated Property | |
| McVol | 273.720 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Inp | [2369.00; 2369.00] |
|
|
| Inp | 2369.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Tboil | 627.53 | K | Relay (1.0) Calculated Property |
| Tc | 858.10 | K | Relay (1.0) Calculated Property |
| Tfus | 392.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.957 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl 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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