- InChI
- InChI=1S/C15H8F6O2/c16-14(17,18)9-6-7-12(15(19,20)21)11(8-9)13(22)23-10-4-2-1-3-5-10/h1-8H
- InChI Key
- LGJLJNQWHFIDAU-UHFFFAOYSA-N
- Formula
- C15H8F6O2
- SMILES
-
O=C(Oc1ccccc1)c1cc(C(F)(F)F)cc
c1C(F)(F)F - Molecular Weight1
- 334.21
- 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° | -1116.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1341.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.943 | Crippen Calculated Property | |
| McVol | 192.750 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | 1543.00 | NIST | |
| Tboil | 671.37 | K | Joback Calculated Property |
| Tc | 876.20 | K | Joback Calculated Property |
| Tfus | 417.23 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.96; 579.27] | J/mol×K | [671.37; 876.20] | 
|
| Cp,gas | 518.96 | J/mol×K | 671.37 | Joback Calculated Property |
| Cp,gas | 531.33 | J/mol×K | 705.51 | Joback Calculated Property |
| Cp,gas | 542.68 | J/mol×K | 739.65 | Joback Calculated Property |
| Cp,gas | 553.08 | J/mol×K | 773.79 | Joback Calculated Property |
| Cp,gas | 562.61 | J/mol×K | 807.93 | Joback Calculated Property |
| Cp,gas | 571.31 | J/mol×K | 842.06 | Joback Calculated Property |
| Cp,gas | 579.27 | J/mol×K | 876.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester.
Sources
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