Chemical Properties of 2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester

2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C20H13F3O3/c21-17-11-10-16(18(22)19(17)23)20(24)26-15-8-6-14(7-9-15)25-12-13-4-2-1-3-5-13/h1-11H,12H2
InChI Key
LSPRJYJEPMKXBQ-UHFFFAOYSA-N
Formula
C20H13F3O3
SMILES
O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1F
Molecular Weight1
358.31
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Physical Properties

Property Value Unit Source
ΔfusH° 42.92 kJ/mol Joback Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
logPoct/wat 4.902 Crippen Calculated Property
McVol 240.000 ml/mol McGowan Calculated Property
Inp [2548.00; 2548.00]   Show Hide
Inp 2548.00 NIST
Inp 2548.00 NIST
Tboil 673.95 K Relay (1.0) Calculated Property
Tfus 342.77 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, 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 [324.53; 731.23] 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 A9.37100e+00
Coefficient B1.34650e+00
Coefficient C-7.33240e-04
Coefficient D1.08600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.53 J/mol×K 273.00 Calculated Property
Cp,gas 398.77 J/mol×K 353.78 Calculated Property
Cp,gas 464.95 J/mol×K 434.56 Calculated Property
Cp,gas 523.40 J/mol×K 515.33 Calculated Property
Cp,gas 574.48 J/mol×K 596.11 Calculated Property
Cp,gas 618.53 J/mol×K 676.89 Calculated Property
Cp,gas 655.88 J/mol×K 757.67 Calculated Property
Cp,gas 686.89 J/mol×K 838.44 Calculated Property
Cp,gas 711.89 J/mol×K 919.22 Calculated Property
Cp,gas 731.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2,5-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 2,3,4-Trifluorobenzoic acid, 3-methylphenyl ester. 3-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester. 2,3,4-Trifluorobenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester. 4-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,4-Difluorobenzoic acid, 3-methylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester.

Sources

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