- InChI
- InChI=1S/C17H12F6O2/c1-9-5-10(2)7-12(6-9)25-15(24)13-8-11(16(18,19)20)3-4-14(13)17(21,22)23/h3-8H,1-2H3
- InChI Key
- BIZKGOIWJWDIFX-UHFFFAOYSA-N
- Formula
- C17H12F6O2
- SMILES
-
Cc1cc(C)cc(OC(=O)c2cc(C(F)(F)F
)ccc2C(F)(F)F)c1 - Molecular Weight1
- 362.27
- 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° | -1118.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1405.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 5.560 | Crippen Calculated Property | |
| McVol | 220.930 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | 1728.00 | NIST | |
| Tboil | 727.09 | K | Joback Calculated Property |
| Tc | 928.87 | K | Joback Calculated Property |
| Tfus | 464.81 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.42; 683.99] | J/mol×K | [727.09; 928.87] | 
|
| Cp,gas | 620.42 | J/mol×K | 727.09 | Joback Calculated Property |
| Cp,gas | 633.22 | J/mol×K | 760.72 | Joback Calculated Property |
| Cp,gas | 645.05 | J/mol×K | 794.35 | Joback Calculated Property |
| Cp,gas | 655.99 | J/mol×K | 827.98 | Joback Calculated Property |
| Cp,gas | 666.08 | J/mol×K | 861.61 | Joback Calculated Property |
| Cp,gas | 675.40 | J/mol×K | 895.24 | Joback Calculated Property |
| Cp,gas | 683.99 | J/mol×K | 928.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester.
Sources
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