Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester

3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI
InChI=1S/C13H5Cl4FO2/c14-7-3-1-2-6(12(7)18)13(19)20-11-5-9(16)8(15)4-10(11)17/h1-5H
InChI Key
FWGMRMAWPZDVFI-UHFFFAOYSA-N
Formula
C13H5Cl4FO2
SMILES
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1F
Molecular Weight1
353.99
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Physical Properties

Property Value Unit Source
ΔfusH° 38.22 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 5.659 Crippen Calculated Property
McVol 204.680 ml/mol McGowan Calculated Property
Inp 2411.00 NIST
Tboil 605.96 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [452.35; 490.68] J/mol×K [800.38; 1049.98] Show Hide
Cp,gas 452.35 J/mol×K 800.38 Joback Calculated Property
Cp,gas 460.90 J/mol×K 841.98 Joback Calculated Property
Cp,gas 468.57 J/mol×K 883.58 Joback Calculated Property
Cp,gas 475.35 J/mol×K 925.18 Joback Calculated Property
Cp,gas 481.29 J/mol×K 966.78 Joback Calculated Property
Cp,gas 486.39 J/mol×K 1008.38 Joback Calculated Property
Cp,gas 490.68 J/mol×K 1049.98 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester. 2-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester. 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, phenylester. 3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl ester. 3-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,4-dichloronaphth-1-yl ester. 3-Chloro-2-fluorobenzoic acid, 2,4-dichloro-6-formylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester. 2-Fluorobenzoic acid, 2-chlorophenyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester.

Sources

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