- InChI
- InChI=1S/C14H8F4O2/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)20-9-5-2-1-3-6-9/h1-8H
- InChI Key
- BEPJRUNQOXOSDF-UHFFFAOYSA-N
- Formula
- C14H8F4O2
- SMILES
-
O=C(Oc1ccccc1)c1cccc(C(F)(F)F)
c1F - Molecular Weight1
- 284.21
- 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 | 0.6124 | Relay (... Calculated Property | |
| ΔfG° | -737.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.05 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -4.59 | Relay (... Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 175.120 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | 1674.00 | NIST | |
| Tboil | 564.76 | K | Relay (... Calculated Property |
| Tc | 794.46 | K | Relay (... Calculated Property |
| Tfus | 317.02 | K | Relay (... Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.52; 511.53] | J/mol×K | [653.18; 868.14] | 
|
| Cp,gas | 449.52 | J/mol×K | 653.18 | Joback Calculated Property |
| Cp,gas | 462.17 | J/mol×K | 689.01 | Joback Calculated Property |
| Cp,gas | 473.82 | J/mol×K | 724.83 | Joback Calculated Property |
| Cp,gas | 484.53 | J/mol×K | 760.66 | Joback Calculated Property |
| Cp,gas | 494.35 | J/mol×K | 796.49 | Joback Calculated Property |
| Cp,gas | 503.33 | J/mol×K | 832.31 | Joback Calculated Property |
| Cp,gas | 511.53 | J/mol×K | 868.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester.
Sources
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