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

3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C20H14ClFO3/c21-18-8-4-7-17(19(18)22)20(23)25-16-11-9-15(10-12-16)24-13-14-5-2-1-3-6-14/h1-12H,13H2
InChI Key
BXWPFPGCSCFRHW-UHFFFAOYSA-N
Formula
C20H14ClFO3
SMILES
O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1F
Molecular Weight1
356.77
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Physical Properties

Property Value Unit Source
ΔfusH° 41.35 kJ/mol Joback Calculated Property
IE 8.23 eV Relay (1.0) Calculated Property
log10WS -6.52 Relay (1.0) Calculated Property
logPoct/wat 5.277 Crippen Calculated Property
McVol 248.700 ml/mol McGowan Calculated Property
Inp [2969.00; 2969.00]   Show Hide
Inp 2969.00 NIST
Inp 2969.00 NIST
Tboil 687.11 K Relay (1.0) Calculated Property
Tfus 349.23 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [318.98; 728.40] 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 A-4.21900e+00
Coefficient B1.38920e+00
Coefficient C-7.87880e-04
Coefficient D1.31300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 318.98 J/mol×K 273.00 Calculated Property
Cp,gas 394.45 J/mol×K 353.78 Calculated Property
Cp,gas 461.46 J/mol×K 434.56 Calculated Property
Cp,gas 520.42 J/mol×K 515.33 Calculated Property
Cp,gas 571.74 J/mol×K 596.11 Calculated Property
Cp,gas 615.85 J/mol×K 676.89 Calculated Property
Cp,gas 653.15 J/mol×K 757.67 Calculated Property
Cp,gas 684.07 J/mol×K 838.44 Calculated Property
Cp,gas 709.01 J/mol×K 919.22 Calculated Property
Cp,gas 728.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester. 2-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dimethylphenyl ester. 2,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2,5-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, phenylester. 3-Chloro-2-fluorobenzoic acid, 3-ethylphenyl ester. 2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester. 2,6-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester. 3-Chlorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl ester.

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

Sources

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