Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester

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
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Physical Properties

Property Value Unit Source
ΔfusH° 33.79 kJ/mol Joback Calculated Property
logPoct/wat 6.067 Crippen Calculated Property
McVol 235.020 ml/mol McGowan Calculated Property
Inp 1814.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.76; 755.80] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.70600e+01
Coefficient B1.65104e+00
Coefficient C-1.16728e-03
Coefficient D2.99100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.76 J/mol×K 273.00 Calculated Property
Cp,gas 424.19 J/mol×K 353.78 Calculated Property
Cp,gas 494.53 J/mol×K 434.56 Calculated Property
Cp,gas 554.72 J/mol×K 515.33 Calculated Property
Cp,gas 605.71 J/mol×K 596.11 Calculated Property
Cp,gas 648.45 J/mol×K 676.89 Calculated Property
Cp,gas 683.88 J/mol×K 757.67 Calculated Property
Cp,gas 712.95 J/mol×K 838.44 Calculated Property
Cp,gas 736.61 J/mol×K 919.22 Calculated Property
Cp,gas 755.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. 2-Trifluoromethylbenzoic acid, 2-propylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. Isophthalic acid, ethyl 4-isopropylphenyl ester. Isophthalic acid, 4-isopropylphenyl propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester.

Sources

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