- InChI
- InChI=1S/C21H12F6O2/c22-20(23,24)14-10-11-17(21(25,26)27)16(12-14)19(28)29-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H
- InChI Key
- YBFZELQXHGAHLK-UHFFFAOYSA-N
- Formula
- C21H12F6O2
- SMILES
-
O=C(Oc1ccccc1-c1ccccc1)c1cc(C(
F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 410.31
- 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° | -962.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1240.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.82 | kJ/mol | Joback Calculated Property |
| log10WS | -8.37 | Crippen Calculated Property | |
| logPoct/wat | 6.610 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1636.45 | kPa | Joback Calculated Property |
| Inp | 2046.00 | NIST | |
| Tboil | 840.31 | K | Joback Calculated Property |
| Tc | 1063.58 | K | Joback Calculated Property |
| Tfus | 523.79 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.05; 804.59] | J/mol×K | [840.31; 1063.58] | 
|
| Cp,gas | 746.05 | J/mol×K | 840.31 | Joback Calculated Property |
| Cp,gas | 758.15 | J/mol×K | 877.52 | Joback Calculated Property |
| Cp,gas | 769.17 | J/mol×K | 914.73 | Joback Calculated Property |
| Cp,gas | 779.21 | J/mol×K | 951.95 | Joback Calculated Property |
| Cp,gas | 788.39 | J/mol×K | 989.16 | Joback Calculated Property |
| Cp,gas | 796.82 | J/mol×K | 1026.37 | Joback Calculated Property |
| Cp,gas | 804.59 | J/mol×K | 1063.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester.
Sources
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