- InChI
- InChI=1S/C20H12F4O2/c21-17-12-14(10-11-16(17)20(22,23)24)19(25)26-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H
- InChI Key
- OLNHTXPHXHGXKR-UHFFFAOYSA-N
- Formula
- C20H12F4O2
- SMILES
-
O=C(Oc1ccccc1-c1ccccc1)c1ccc(C
(F)(F)F)c(F)c1 - Molecular Weight1
- 360.30
- 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° | -584.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 5.731 | Crippen Calculated Property | |
| McVol | 235.900 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Inp | 2126.00 | NIST | |
| Tboil | 822.12 | K | Joback Calculated Property |
| Tc | 1054.29 | K | Joback Calculated Property |
| Tfus | 508.92 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.25; 734.79] | J/mol×K | [822.12; 1054.29] | 
|
| Cp,gas | 674.25 | J/mol×K | 822.12 | Joback Calculated Property |
| Cp,gas | 687.00 | J/mol×K | 860.81 | Joback Calculated Property |
| Cp,gas | 698.57 | J/mol×K | 899.51 | Joback Calculated Property |
| Cp,gas | 709.04 | J/mol×K | 938.20 | Joback Calculated Property |
| Cp,gas | 718.51 | J/mol×K | 976.90 | Joback Calculated Property |
| Cp,gas | 727.06 | J/mol×K | 1015.59 | Joback Calculated Property |
| Cp,gas | 734.79 | J/mol×K | 1054.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-biphenyl ester.
Sources
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