- InChI
- InChI=1S/C14H5Cl3F4O2/c15-8-4-10(17)12(5-9(8)16)23-13(22)6-1-2-7(11(18)3-6)14(19,20)21/h1-5H
- InChI Key
- KKORITHVGLTYGK-UHFFFAOYSA-N
- Formula
- C14H5Cl3F4O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(
C(F)(F)F)c(F)c1 - Molecular Weight1
- 387.54
- ω : Acentric Factor.
- 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).
- 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 | 0.7243 | Relay (... Calculated Property | |
| ΔfG° | -802.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1052.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -6.75 | Relay (... Calculated Property | |
| logPoct/wat | 6.024 | Crippen Calculated Property | |
| McVol | 211.840 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Inp | 2092.00 | NIST | |
| Tboil | 597.36 | K | Relay (... Calculated Property |
| Tc | 867.34 | K | Relay (... Calculated Property |
| Tfus | 358.49 | K | Relay (... Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.79; 552.30] | J/mol×K | [780.41; 1006.73] | 
|
| Cp,gas | 510.79 | J/mol×K | 780.41 | Joback Calculated Property |
| Cp,gas | 519.63 | J/mol×K | 818.13 | Joback Calculated Property |
| Cp,gas | 527.65 | J/mol×K | 855.85 | Joback Calculated Property |
| Cp,gas | 534.88 | J/mol×K | 893.57 | Joback Calculated Property |
| Cp,gas | 541.37 | J/mol×K | 931.29 | Joback Calculated Property |
| Cp,gas | 547.16 | J/mol×K | 969.01 | Joback Calculated Property |
| Cp,gas | 552.30 | J/mol×K | 1006.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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