- InChI
- InChI=1S/C27H43ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-27(32)25(21(2)3)30-26(31)22-18-17-19-23(28)24(22)29/h17-19,21,25H,4-16,20H2,1-3H3,(H,30,31)
- InChI Key
- RZMXPUJOBAPPJQ-UHFFFAOYSA-N
- Formula
- C27H43ClFNO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c
1cccc(Cl)c1F)C(C)C - Molecular Weight1
- 484.09
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -215.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.43 | kJ/mol | Joback Calculated Property |
| log10WS | -9.52 | Crippen Calculated Property | |
| logPoct/wat | 7.868 | Crippen Calculated Property | |
| McVol | 400.530 | ml/mol | McGowan Calculated Property |
| Pc | 838.70 | kPa | Joback Calculated Property |
| Inp | [3350.00; 3350.00] |
|
|
| Inp | 3350.00 | NIST | |
| Inp | 3350.00 | NIST | |
| Tboil | 1069.95 | K | Joback Calculated Property |
| Tc | 1317.51 | K | Joback Calculated Property |
| Tfus | 620.77 | K | Joback Calculated Property |
| Vc | 1.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.66; 1445.44] | J/mol×K | [1069.95; 1317.51] |
|
| Cp,gas | 1369.66 | J/mol×K | 1069.95 | Joback Calculated Property |
| Cp,gas | 1386.17 | J/mol×K | 1111.21 | Joback Calculated Property |
| Cp,gas | 1401.00 | J/mol×K | 1152.47 | Joback Calculated Property |
| Cp,gas | 1414.24 | J/mol×K | 1193.73 | Joback Calculated Property |
| Cp,gas | 1425.99 | J/mol×K | 1234.99 | Joback Calculated Property |
| Cp,gas | 1436.36 | J/mol×K | 1276.25 | Joback Calculated Property |
| Cp,gas | 1445.44 | J/mol×K | 1317.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester.
Sources
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