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

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

InChI
InChI=1S/C15H7F7O2/c1-5-2-3-7(16)8(9(5)17)15(23)24-4-6-10(18)12(20)14(22)13(21)11(6)19/h2-3H,4H2,1H3
InChI Key
OAEQDGGSEUOFOB-UHFFFAOYSA-N
Formula
C15H7F7O2
SMILES
Cc1ccc(F)c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1F
Molecular Weight1
352.20
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Physical Properties

Property Value Unit Source
ΔfusH° 43.92 kJ/mol Joback Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
logPoct/wat 4.326 Crippen Calculated Property
McVol 194.520 ml/mol McGowan Calculated Property
Inp [1773.00; 1773.00]   Show Hide
Inp 1773.00 NIST
Inp 1773.00 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [513.72; 567.66] J/mol×K [706.98; 892.69] Show Hide
Cp,gas 513.72 J/mol×K 706.98 Joback Calculated Property
Cp,gas 524.23 J/mol×K 737.93 Joback Calculated Property
Cp,gas 534.13 J/mol×K 768.88 Joback Calculated Property
Cp,gas 543.42 J/mol×K 799.83 Joback Calculated Property
Cp,gas 552.11 J/mol×K 830.78 Joback Calculated Property
Cp,gas 560.19 J/mol×K 861.74 Joback Calculated Property
Cp,gas 567.66 J/mol×K 892.69 Joback Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, methyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, pentafluorobenzyl ester. 2,6-Difluoro-3-methylbenzoic acid, ethyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester. Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. 2,6-Difluoro-3-methylbenzoic acid, isobutyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-methoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. Terephthalic acid, di(2,3,5-trifluorobenzyl) ester. 2,6-Difluoro-3-methylbenzoic acid, butyl ester. Benzoic acid, (2,3,6-trifluorophenyl)methyl ester.

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

Sources

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