- InChI
- InChI=1S/C16H12F4O2/c1-9-3-10(2)5-14(4-9)22-15(21)11-6-12(16(18,19)20)8-13(17)7-11/h3-8H,1-2H3
- InChI Key
- WIONHSHCDWAFPE-UHFFFAOYSA-N
- Formula
- C16H12F4O2
- SMILES
-
Cc1cc(C)cc(OC(=O)c2cc(F)cc(C(F
)(F)F)c2)c1 - Molecular Weight1
- 312.26
- 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° | -740.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -984.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 4.681 | Crippen Calculated Property | |
| McVol | 203.300 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 1746.00 | NIST | |
| Tboil | 708.90 | K | Joback Calculated Property |
| Tc | 919.14 | K | Joback Calculated Property |
| Tfus | 449.94 | K | Joback Calculated Property |
| Vc | 0.800 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.34; 615.18] | J/mol×K | [708.90; 919.14] | 
|
| Cp,gas | 549.34 | J/mol×K | 708.90 | Joback Calculated Property |
| Cp,gas | 562.56 | J/mol×K | 743.94 | Joback Calculated Property |
| Cp,gas | 574.83 | J/mol×K | 778.98 | Joback Calculated Property |
| Cp,gas | 586.18 | J/mol×K | 814.02 | Joback Calculated Property |
| Cp,gas | 596.66 | J/mol×K | 849.06 | Joback Calculated Property |
| Cp,gas | 606.31 | J/mol×K | 884.10 | Joback Calculated Property |
| Cp,gas | 615.18 | J/mol×K | 919.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.
Sources
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