- InChI
- InChI=1S/C12H10F6O2/c1-6(2)20-10(19)8-5-7(11(13,14)15)3-4-9(8)12(16,17)18/h3-6H,1-2H3
- InChI Key
- JBBBTQHHAVTTGH-UHFFFAOYSA-N
- Formula
- C12H10F6O2
- SMILES
-
CC(C)OC(=O)c1cc(C(F)(F)F)ccc1C
(F)(F)F - Molecular Weight1
- 300.20
- 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° | -1256.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1521.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.289 | Crippen Calculated Property | |
| McVol | 174.240 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Inp | 1153.00 | NIST | |
| Tboil | 575.61 | K | Joback Calculated Property |
| Tc | 756.09 | K | Joback Calculated Property |
| Tfus | 342.00 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.59; 514.05] | J/mol×K | [575.61; 756.09] | 
|
| Cp,gas | 449.59 | J/mol×K | 575.61 | Joback Calculated Property |
| Cp,gas | 462.21 | J/mol×K | 605.69 | Joback Calculated Property |
| Cp,gas | 474.03 | J/mol×K | 635.77 | Joback Calculated Property |
| Cp,gas | 485.09 | J/mol×K | 665.85 | Joback Calculated Property |
| Cp,gas | 495.42 | J/mol×K | 695.93 | Joback Calculated Property |
| Cp,gas | 505.06 | J/mol×K | 726.01 | Joback Calculated Property |
| Cp,gas | 514.05 | J/mol×K | 756.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester.
Sources
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