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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [474.97; 543.96] J/mol×K [672.84; 891.41] Show Hide
Cp,gas 474.97 J/mol×K 672.84 Joback Calculated Property
Cp,gas 488.85 J/mol×K 709.27 Joback Calculated Property
Cp,gas 501.75 J/mol×K 745.70 Joback Calculated Property
Cp,gas 513.69 J/mol×K 782.12 Joback Calculated Property
Cp,gas 524.69 J/mol×K 818.55 Joback Calculated Property
Cp,gas 534.78 J/mol×K 854.98 Joback Calculated Property
Cp,gas 543.96 J/mol×K 891.41 Joback 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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