- InChI
- InChI=1S/C15H10F4O3/c1-21-10-3-5-11(6-4-10)22-14(20)9-2-7-12(13(16)8-9)15(17,18)19/h2-8H,1H3
- InChI Key
- WCLMIGFNWHGQER-UHFFFAOYSA-N
- Formula
- C15H10F4O3
- SMILES
-
COc1ccc(OC(=O)c2ccc(C(F)(F)F)c
(F)c2)cc1 - Molecular Weight1
- 314.23
- 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 | 0.7257 | Relay (... Calculated Property | |
| ΔfG° | -843.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1148.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -5.10 | Relay (... Calculated Property | |
| logPoct/wat | 4.072 | Crippen Calculated Property | |
| McVol | 195.080 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | 1895.00 | NIST | |
| Tboil | 603.67 | K | Relay (... Calculated Property |
| Tc | 815.73 | K | Relay (... Calculated Property |
| Tfus | 338.92 | K | Relay (... Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.99; 586.02] | J/mol×K | [703.46; 913.82] | 
|
| Cp,gas | 523.99 | J/mol×K | 703.46 | Joback Calculated Property |
| Cp,gas | 536.60 | J/mol×K | 738.52 | Joback Calculated Property |
| Cp,gas | 548.25 | J/mol×K | 773.58 | Joback Calculated Property |
| Cp,gas | 558.99 | J/mol×K | 808.64 | Joback Calculated Property |
| Cp,gas | 568.85 | J/mol×K | 843.70 | Joback Calculated Property |
| Cp,gas | 577.85 | J/mol×K | 878.76 | Joback Calculated Property |
| Cp,gas | 586.02 | J/mol×K | 913.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester.
Sources
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