Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester

2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester

InChI
InChI=1S/C16H14F2O2/c1-9-6-10(2)8-12(7-9)20-16(19)14-13(17)5-4-11(3)15(14)18/h4-8H,1-3H3
InChI Key
LENIKJKGZAVHPV-UHFFFAOYSA-N
Formula
C16H14F2O2
SMILES
Cc1cc(C)cc(OC(=O)c2c(F)ccc(C)c2F)c1
Molecular Weight1
276.28
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Physical Properties

Property Value Unit Source
ΔfusH° 33.86 kJ/mol Joback Calculated Property
log10WS -5.90 Relay (1.0) Calculated Property
logPoct/wat 4.109 Crippen Calculated Property
McVol 199.760 ml/mol McGowan Calculated Property
Inp [1995.00; 1995.00]   Show Hide
Inp 1995.00 NIST
Inp 1995.00 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 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 [275.88; 614.78] 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 A2.96200e+01
Coefficient B1.03736e+00
Coefficient C-5.12000e-04
Coefficient D5.98000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 275.88 J/mol×K 273.00 Calculated Property
Cp,gas 335.18 J/mol×K 353.78 Calculated Property
Cp,gas 388.63 J/mol×K 434.56 Calculated Property
Cp,gas 436.42 J/mol×K 515.33 Calculated Property
Cp,gas 478.73 J/mol×K 596.11 Calculated Property
Cp,gas 515.76 J/mol×K 676.89 Calculated Property
Cp,gas 547.68 J/mol×K 757.67 Calculated Property
Cp,gas 574.71 J/mol×K 838.44 Calculated Property
Cp,gas 597.01 J/mol×K 919.22 Calculated Property
Cp,gas 614.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-difluophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, phenyl ester. 2,6-Difluorobenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 2-Fluorobenzoic acid, 3,5-dimethylphenyl ester. 2,4-Difluorobenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester. 2,3,4-Trifluorobenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester.

Sources

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