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

Pentafluorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI
InChI=1S/C13H2Cl3F5O2/c14-3-1-5(16)6(2-4(3)15)23-13(22)7-8(17)10(19)12(21)11(20)9(7)18/h1-2H
InChI Key
MFYDGNNHFUZELW-UHFFFAOYSA-N
Formula
C13H2Cl3F5O2
SMILES
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
391.50
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Physical Properties

Property Value Unit Source
ΔfusH° 46.76 kJ/mol Joback Calculated Property
log10WS -8.44 Relay (1.0) Calculated Property
logPoct/wat 5.562 Crippen Calculated Property
McVol 199.520 ml/mol McGowan Calculated Property
Inp [1963.00; 1963.00]   Show Hide
Inp 1963.00 NIST
Inp 1963.00 NIST
Tfus 358.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [284.70; 496.91] 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 A1.32190e+02
Coefficient B6.29600e-01
Coefficient C-2.58080e-04
Coefficient D-6.80000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 284.70 J/mol×K 273.00 Calculated Property
Cp,gas 322.33 J/mol×K 353.78 Calculated Property
Cp,gas 356.49 J/mol×K 434.56 Calculated Property
Cp,gas 387.18 J/mol×K 515.33 Calculated Property
Cp,gas 414.35 J/mol×K 596.11 Calculated Property
Cp,gas 438.00 J/mol×K 676.89 Calculated Property
Cp,gas 458.11 J/mol×K 757.67 Calculated Property
Cp,gas 474.64 J/mol×K 838.44 Calculated Property
Cp,gas 487.58 J/mol×K 919.22 Calculated Property
Cp,gas 496.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentafluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,3,4-Trifluorobenzoic acid, 3,4-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester. Phenol, pentafluorobenzoyl ester. 3-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,4-Difluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,6-Difluorobenzoic acid, 2-chlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester. 4-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester.

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

Sources

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