- InChI
- InChI=1S/C18H14F6O2/c1-10(2)11-3-6-13(7-4-11)26-16(25)14-9-12(17(19,20)21)5-8-15(14)18(22,23)24/h3-10H,1-2H3
- InChI Key
- VBTOTMSSWKIZKW-UHFFFAOYSA-N
- Formula
- C18H14F6O2
- SMILES
-
CC(C)c1ccc(OC(=O)c2cc(C(F)(F)F
)ccc2C(F)(F)F)cc1 - Molecular Weight1
- 376.29
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7437 | Relay (1.0) Calculated Property | |
| ΔfG° | -1102.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1530.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.067 | Crippen Calculated Property | |
| McVol | 235.020 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 594.64 | K | Relay (1.0) Calculated Property |
| Tc | 842.32 | K | Relay (1.0) Calculated Property |
| Tfus | 363.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.61; 742.33] | J/mol×K | [744.55; 946.71] | 
|
| Cp,gas | 675.61 | J/mol×K | 744.55 | Joback Calculated Property |
| Cp,gas | 689.06 | J/mol×K | 778.24 | Joback Calculated Property |
| Cp,gas | 701.48 | J/mol×K | 811.94 | Joback Calculated Property |
| Cp,gas | 712.96 | J/mol×K | 845.63 | Joback Calculated Property |
| Cp,gas | 723.54 | J/mol×K | 879.32 | Joback Calculated Property |
| Cp,gas | 733.31 | J/mol×K | 913.02 | Joback Calculated Property |
| Cp,gas | 742.33 | J/mol×K | 946.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester.
Sources
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