Chemical Properties of 3-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester

3-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI
InChI=1S/C14H5Cl4F3O2/c15-8-5-9(16)12(11(18)10(8)17)23-13(22)6-2-1-3-7(4-6)14(19,20)21/h1-5H
InChI Key
NTTDMPDJMIPWJH-UHFFFAOYSA-N
Formula
C14H5Cl4F3O2
SMILES
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1cccc(C(F)(F)F)c1
Molecular Weight1
404.00
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Physical Properties

Property Value Unit Source
ΔfusH° 41.14 kJ/mol Joback Calculated Property
logPoct/wat 6.538 Crippen Calculated Property
McVol 222.310 ml/mol McGowan Calculated Property
Inp [2221.00; 2221.00]   Show Hide
Inp 2221.00 NIST
Inp 2221.00 NIST
Tboil 613.88 K Relay (1.0) Calculated Property
Tfus 365.06 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [293.81; 553.22] 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 A6.46200e+01
Coefficient B1.01210e+00
Coefficient C-6.73000e-04
Coefficient D1.49500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 293.81 J/mol×K 273.00 Calculated Property
Cp,gas 345.07 J/mol×K 353.78 Calculated Property
Cp,gas 389.61 J/mol×K 434.56 Calculated Property
Cp,gas 427.92 J/mol×K 515.33 Calculated Property
Cp,gas 460.46 J/mol×K 596.11 Calculated Property
Cp,gas 487.71 J/mol×K 676.89 Calculated Property
Cp,gas 510.14 J/mol×K 757.67 Calculated Property
Cp,gas 528.22 J/mol×K 838.44 Calculated Property
Cp,gas 542.42 J/mol×K 919.22 Calculated Property
Cp,gas 553.22 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. Benzoic acid, 3-methyl-, 2,3,4,6-tetrachlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. Benzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Trifluoromethylbenzoic acid, 2-chlorophenyl ester. Benzoic acid, 3-methyl-, 2,4,5-trichlorophenyl ester. 4-Methylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 1-Naphthoic acid, 2,3,4,6-tetrachlorophenyl ester. 2-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 4-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

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