Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester

2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester

InChI
InChI=1S/C15H11ClF2O2/c1-8-3-5-11(17)13(14(8)18)15(19)20-12-6-4-10(16)7-9(12)2/h3-7H,1-2H3
InChI Key
MOBJPHUSMMTUBV-UHFFFAOYSA-N
Formula
C15H11ClF2O2
SMILES
Cc1cc(Cl)ccc1OC(=O)c1c(F)ccc(C)c1F
Molecular Weight1
296.70
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Physical Properties

Property Value Unit Source
ΔfusH° 35.47 kJ/mol Joback Calculated Property
log10WS -5.89 Relay (1.0) Calculated Property
logPoct/wat 4.454 Crippen Calculated Property
McVol 197.910 ml/mol McGowan Calculated Property
Inp 2066.00 NIST
Tfus 324.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [268.07; 571.46] 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 A4.34200e+01
Coefficient B9.49140e-01
Coefficient C-4.78000e-04
Coefficient D5.69000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 268.07 J/mol×K 273.00 Calculated Property
Cp,gas 321.90 J/mol×K 353.78 Calculated Property
Cp,gas 370.28 J/mol×K 434.56 Calculated Property
Cp,gas 413.39 J/mol×K 515.33 Calculated Property
Cp,gas 451.41 J/mol×K 596.11 Calculated Property
Cp,gas 484.52 J/mol×K 676.89 Calculated Property
Cp,gas 512.90 J/mol×K 757.67 Calculated Property
Cp,gas 536.73 J/mol×K 838.44 Calculated Property
Cp,gas 556.19 J/mol×K 919.22 Calculated Property
Cp,gas 571.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 4-chloro-2-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, phenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid,4-chloro-2-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-isopropylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,4-dichloronaphthyl-1 ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester.

Sources

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