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

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

InChI
InChI=1S/C15H7ClF6O2/c16-9-2-4-10(5-3-9)24-13(23)11-7-8(14(17,18)19)1-6-12(11)15(20,21)22/h1-7H
InChI Key
DNCVWWGBRFGAMZ-UHFFFAOYSA-N
Formula
C15H7ClF6O2
SMILES
O=C(Oc1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
368.66
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Physical Properties

Property Value Unit Source
ΔfusH° 33.74 kJ/mol Joback Calculated Property
IE 9.00 eV Relay (1.0) Calculated Property
logPoct/wat 5.597 Crippen Calculated Property
McVol 204.990 ml/mol McGowan Calculated Property
Inp [1726.00; 1726.00]   Show Hide
Inp 1726.00 NIST
Inp 1726.00 NIST
Tboil 584.26 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [292.84; 608.76] 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-9.76000e+00
Coefficient B1.36690e+00
Coefficient C-1.02128e-03
Coefficient D2.72900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 292.84 J/mol×K 273.00 Calculated Property
Cp,gas 358.08 J/mol×K 353.78 Calculated Property
Cp,gas 413.77 J/mol×K 434.56 Calculated Property
Cp,gas 460.78 J/mol×K 515.33 Calculated Property
Cp,gas 499.96 J/mol×K 596.11 Calculated Property
Cp,gas 532.19 J/mol×K 676.89 Calculated Property
Cp,gas 558.32 J/mol×K 757.67 Calculated Property
Cp,gas 579.21 J/mol×K 838.44 Calculated Property
Cp,gas 595.74 J/mol×K 919.22 Calculated Property
Cp,gas 608.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3,4-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 3-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester.

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

Sources

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