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

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

InChI
InChI=1S/C13HCl4F5O2/c14-2-1-3(15)12(6(17)5(2)16)24-13(23)4-7(18)9(20)11(22)10(21)8(4)19/h1H
InChI Key
CDGADYJJBKICNY-UHFFFAOYSA-N
Formula
C13HCl4F5O2
SMILES
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
425.95
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Physical Properties

Property Value Unit Source
ΔfusH° 50.56 kJ/mol Joback Calculated Property
log10WS -9.17 Relay (1.0) Calculated Property
logPoct/wat 6.215 Crippen Calculated Property
McVol 211.760 ml/mol McGowan Calculated Property
Inp 2110.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [473.86; 503.39] J/mol×K [799.51; 1015.34] Show Hide
Cp,gas 473.86 J/mol×K 799.51 Joback Calculated Property
Cp,gas 480.54 J/mol×K 835.48 Joback Calculated Property
Cp,gas 486.52 J/mol×K 871.45 Joback Calculated Property
Cp,gas 491.81 J/mol×K 907.43 Joback Calculated Property
Cp,gas 496.39 J/mol×K 943.40 Joback Calculated Property
Cp,gas 500.25 J/mol×K 979.37 Joback Calculated Property
Cp,gas 503.39 J/mol×K 1015.34 Joback Calculated Property

Similar Compounds

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

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

Sources

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