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

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

InChI
InChI=1S/C15H12F2O2/c1-9-4-3-5-11(8-9)19-15(18)13-12(16)7-6-10(2)14(13)17/h3-8H,1-2H3
InChI Key
PAVUVLVSVMABBT-UHFFFAOYSA-N
Formula
C15H12F2O2
SMILES
Cc1cccc(OC(=O)c2c(F)ccc(C)c2F)c1
Molecular Weight1
262.25
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Physical Properties

Property Value Unit Source
ΔfusH° 31.66 kJ/mol Joback Calculated Property
IE 8.33 eV Relay (1.0) Calculated Property
log10WS -5.31 Relay (1.0) Calculated Property
logPoct/wat 3.801 Crippen Calculated Property
McVol 185.670 ml/mol McGowan Calculated Property
Inp 1893.00 NIST
Tboil 590.25 K Relay (1.0) Calculated Property
Tfus 318.37 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 [252.11; 566.23] 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 A1.62300e+01
Coefficient B1.00184e+00
Coefficient C-5.24640e-04
Coefficient D7.28000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 252.11 J/mol×K 273.00 Calculated Property
Cp,gas 308.22 J/mol×K 353.78 Calculated Property
Cp,gas 358.49 J/mol×K 434.56 Calculated Property
Cp,gas 403.15 J/mol×K 515.33 Calculated Property
Cp,gas 442.43 J/mol×K 596.11 Calculated Property
Cp,gas 476.56 J/mol×K 676.89 Calculated Property
Cp,gas 505.78 J/mol×K 757.67 Calculated Property
Cp,gas 530.31 J/mol×K 838.44 Calculated Property
Cp,gas 550.38 J/mol×K 919.22 Calculated Property
Cp,gas 566.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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