Chemical Properties of 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester

2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI
InChI=1S/C13H5Cl3F2O2/c14-8-4-10(16)12(5-9(8)15)20-13(19)7-2-1-6(17)3-11(7)18/h1-5H
InChI Key
JLFBQPLLXJNARA-UHFFFAOYSA-N
Formula
C13H5Cl3F2O2
SMILES
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1F
Molecular Weight1
337.54
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Physical Properties

Property Value Unit Source
ΔfusH° 38.68 kJ/mol Joback Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
logPoct/wat 5.144 Crippen Calculated Property
McVol 194.210 ml/mol McGowan Calculated Property
Inp [2122.00; 2122.00]   Show Hide
Inp 2122.00 NIST
Inp 2122.00 NIST
Tboil 593.64 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 [252.45; 484.82] 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 A7.10200e+01
Coefficient B7.72700e-01
Coefficient C-4.10000e-04
Coefficient D5.11000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 252.45 J/mol×K 273.00 Calculated Property
Cp,gas 295.33 J/mol×K 353.78 Calculated Property
Cp,gas 333.57 J/mol×K 434.56 Calculated Property
Cp,gas 367.33 J/mol×K 515.33 Calculated Property
Cp,gas 396.77 J/mol×K 596.11 Calculated Property
Cp,gas 422.05 J/mol×K 676.89 Calculated Property
Cp,gas 443.33 J/mol×K 757.67 Calculated Property
Cp,gas 460.78 J/mol×K 838.44 Calculated Property
Cp,gas 474.56 J/mol×K 919.22 Calculated Property
Cp,gas 484.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,4-Difluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,4-Difluorobenzoic acid, 3,4-dichlorophenyl ester. 4-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,4-Difluorobenzoic acid, 4-chlorophenyl ester. 2,3,4-Trifluorobenzoic acid, 3,4-dichlorophenyl ester. 3-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Fluorobenzoic acid, 3,4-dichlorophenyl ester. 2-Fluorobenzoic acid, 2-chlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3-dichlorophenyl ester.

Find more compounds similar to 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester.

Sources

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