- InChI
- InChI=1S/C14H14F4O2/c15-12-8-9(6-7-11(12)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2
- InChI Key
- WFFZLSRBEOSYHK-UHFFFAOYSA-N
- Formula
- C14H14F4O2
- SMILES
-
O=C(OC1CCCCC1)c1ccc(C(F)(F)F)c
(F)c1 - Molecular Weight1
- 290.25
- 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° | -825.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1102.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.334 | Crippen Calculated Property | |
| McVol | 188.020 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | 1588.00 | NIST | |
| Tboil | 646.05 | K | Joback Calculated Property |
| Tc | 854.74 | K | Joback Calculated Property |
| Tfus | 383.32 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.97; 602.34] | J/mol×K | [646.05; 854.74] | 
|
| Cp,gas | 519.97 | J/mol×K | 646.05 | Joback Calculated Property |
| Cp,gas | 536.42 | J/mol×K | 680.83 | Joback Calculated Property |
| Cp,gas | 551.73 | J/mol×K | 715.61 | Joback Calculated Property |
| Cp,gas | 565.93 | J/mol×K | 750.39 | Joback Calculated Property |
| Cp,gas | 579.07 | J/mol×K | 785.17 | Joback Calculated Property |
| Cp,gas | 591.19 | J/mol×K | 819.96 | Joback Calculated Property |
| Cp,gas | 602.34 | J/mol×K | 854.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexyl ester.
Sources
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