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

3-Chloro-2-fluorobenzoic acid, 3,5-dimethylphenyl ester

InChI
InChI=1S/C15H12ClFO2/c1-9-6-10(2)8-11(7-9)19-15(18)12-4-3-5-13(16)14(12)17/h3-8H,1-2H3
InChI Key
FMPLUYJMHVYCCO-UHFFFAOYSA-N
Formula
C15H12ClFO2
SMILES
Cc1cc(C)cc(OC(=O)c2cccc(Cl)c2F)c1
Molecular Weight1
278.71
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Physical Properties

Property Value Unit Source
ΔfusH° 32.78 kJ/mol Joback Calculated Property
logPoct/wat 4.315 Crippen Calculated Property
McVol 196.140 ml/mol McGowan Calculated Property
Inp [2107.00; 2107.00]   Show Hide
Inp 2107.00 NIST
Inp 2107.00 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [257.32; 567.43] 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 A2.30300e+01
Coefficient B9.96840e-01
Coefficient C-5.28640e-04
Coefficient D7.62000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 257.32 J/mol×K 273.00 Calculated Property
Cp,gas 312.90 J/mol×K 353.78 Calculated Property
Cp,gas 362.64 J/mol×K 434.56 Calculated Property
Cp,gas 406.77 J/mol×K 515.33 Calculated Property
Cp,gas 445.55 J/mol×K 596.11 Calculated Property
Cp,gas 479.20 J/mol×K 676.89 Calculated Property
Cp,gas 507.97 J/mol×K 757.67 Calculated Property
Cp,gas 532.11 J/mol×K 838.44 Calculated Property
Cp,gas 551.85 J/mol×K 919.22 Calculated Property
Cp,gas 567.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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