- InChI
- InChI=1S/C14H15ClF4O2/c15-7-3-1-2-4-8-21-13(20)10-5-6-11(12(16)9-10)14(17,18)19/h5-6,9H,1-4,7-8H2
- InChI Key
- SOYROGXPZXSKRC-UHFFFAOYSA-N
- Formula
- C14H15ClF4O2
- SMILES
-
O=C(OCCCCCCCl)c1ccc(C(F)(F)F)c
(F)c1 - Molecular Weight1
- 326.71
- 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° | -862.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 211.120 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | 1843.00 | NIST | |
| Tboil | 663.93 | K | Joback Calculated Property |
| Tc | 848.47 | K | Joback Calculated Property |
| Tfus | 405.86 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.05; 624.33] | J/mol×K | [663.93; 848.47] | 
|
| Cp,gas | 557.05 | J/mol×K | 663.93 | Joback Calculated Property |
| Cp,gas | 570.09 | J/mol×K | 694.69 | Joback Calculated Property |
| Cp,gas | 582.36 | J/mol×K | 725.44 | Joback Calculated Property |
| Cp,gas | 593.89 | J/mol×K | 756.20 | Joback Calculated Property |
| Cp,gas | 604.71 | J/mol×K | 786.95 | Joback Calculated Property |
| Cp,gas | 614.84 | J/mol×K | 817.71 | Joback Calculated Property |
| Cp,gas | 624.33 | J/mol×K | 848.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester.
Sources
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