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

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

InChI
InChI=1S/C13H16F2O2/c1-8-5-6-9(14)10(11(8)15)12(16)17-7-13(2,3)4/h5-6H,7H2,1-4H3
InChI Key
MFRFHODKXZORNB-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
Cc1ccc(F)c(C(=O)OCC(C)(C)C)c1F
Molecular Weight1
242.26
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Physical Properties

Property Value Unit Source
ΔfusH° 25.42 kJ/mol Joback Calculated Property
logPoct/wat 3.476 Crippen Calculated Property
McVol 181.250 ml/mol McGowan Calculated Property
Inp 1482.00 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, 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 [456.76; 533.03] J/mol×K [592.19; 788.57] Show Hide
Cp,gas 456.76 J/mol×K 592.19 Joback Calculated Property
Cp,gas 471.52 J/mol×K 624.92 Joback Calculated Property
Cp,gas 485.43 J/mol×K 657.65 Joback Calculated Property
Cp,gas 498.51 J/mol×K 690.38 Joback Calculated Property
Cp,gas 510.78 J/mol×K 723.11 Joback Calculated Property
Cp,gas 522.28 J/mol×K 755.84 Joback Calculated Property
Cp,gas 533.03 J/mol×K 788.57 Joback Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, isobutyl ester. 2,6-Difluoro-3-methylbenzoic acid, ethyl ester. 2,6-Difluoro-3-methylbenzoic acid, butyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-methylbutyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, pentyl ester. 1,5-Pentanediol, O,O'-di(2,6-difluoro-3-methylbenzoyl)-. 2,6-Difluoro-3-methylbenzoic acid, hexyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, nonadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, decyl ester. 2,6-Difluoro-3-methylbenzoic acid, octadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester.

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

Sources

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