Chemical Properties of 3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester

3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester

InChI
InChI=1S/C13H3ClF6O2/c14-5-3-1-2-4(6(5)15)13(21)22-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H
InChI Key
LEMGXRHAERNQBD-UHFFFAOYSA-N
Formula
C13H3ClF6O2
SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1F
Molecular Weight1
340.61
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Physical Properties

Property Value Unit Source
ΔfusH° 40.25 kJ/mol Joback Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
logPoct/wat 4.394 Crippen Calculated Property
McVol 176.810 ml/mol McGowan Calculated Property
Inp 1686.00 NIST
Tboil 542.57 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 [429.21; 474.29] J/mol×K [694.40; 892.68] Show Hide
Cp,gas 429.21 J/mol×K 694.40 Joback Calculated Property
Cp,gas 438.18 J/mol×K 727.45 Joback Calculated Property
Cp,gas 446.58 J/mol×K 760.49 Joback Calculated Property
Cp,gas 454.38 J/mol×K 793.54 Joback Calculated Property
Cp,gas 461.60 J/mol×K 826.59 Joback Calculated Property
Cp,gas 468.24 J/mol×K 859.64 Joback Calculated Property
Cp,gas 474.29 J/mol×K 892.68 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 3,5-difluophenyl ester. 2-Fluorobenzoic acid, pentafluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester. 3-Chloro-2-fluorobenzoic acid, phenylester. 3-Chloro-2-fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester. 2,4-Difluorobenzoic acid, pentafluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester.

Sources

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