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

3-Chloro-2-fluorobenzoic acid, 2,3-dichlorophenyl ester

InChI
InChI=1S/C13H6Cl3FO2/c14-8-4-2-6-10(11(8)16)19-13(18)7-3-1-5-9(15)12(7)17/h1-6H
InChI Key
YPRNASYQICTJCQ-UHFFFAOYSA-N
Formula
C13H6Cl3FO2
SMILES
O=C(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1F
Molecular Weight1
319.54
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Physical Properties

Property Value Unit Source
ΔfusH° 35.99 kJ/mol Joback Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -6.25 Relay (1.0) Calculated Property
logPoct/wat 5.005 Crippen Calculated Property
McVol 192.440 ml/mol McGowan Calculated Property
Inp [2275.00; 2275.00]   Show Hide
Inp 2275.00 NIST
Inp 2275.00 NIST
Tboil 606.08 K Relay (1.0) Calculated Property
Tfus 342.42 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 [241.70; 480.79] 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 A5.06300e+01
Coefficient B8.20400e-01
Coefficient C-4.60640e-04
Coefficient D7.04000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 241.70 J/mol×K 273.00 Calculated Property
Cp,gas 286.33 J/mol×K 353.78 Calculated Property
Cp,gas 325.93 J/mol×K 434.56 Calculated Property
Cp,gas 360.71 J/mol×K 515.33 Calculated Property
Cp,gas 390.90 J/mol×K 596.11 Calculated Property
Cp,gas 416.73 J/mol×K 676.89 Calculated Property
Cp,gas 438.41 J/mol×K 757.67 Calculated Property
Cp,gas 456.16 J/mol×K 838.44 Calculated Property
Cp,gas 470.21 J/mol×K 919.22 Calculated Property
Cp,gas 480.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, phenylester. 3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl ester. 2-Fluorobenzoic acid, 2-chlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-difluophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester. 2-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,4-dichloronaphth-1-yl ester. 2-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

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

Sources

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