Chemical Properties of 2,4-Difluorobenzoic acid, 2-methylpentyl ester

2,4-Difluorobenzoic acid, 2-methylpentyl ester

InChI
InChI=1S/C13H16F2O2/c1-3-4-9(2)8-17-13(16)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3
InChI Key
TVXQZPVXBBFEAT-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
CCCC(C)COC(=O)c1ccc(F)cc1F
Molecular Weight1
242.26
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Physical Properties

Property Value Unit Source
ΔfusH° 28.11 kJ/mol Joback Calculated Property
logPoct/wat 3.558 Crippen Calculated Property
McVol 181.250 ml/mol McGowan Calculated Property
Inp 1504.00 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 [459.33; 534.45] J/mol×K [607.87; 799.01] Show Hide
Cp,gas 459.33 J/mol×K 607.87 Joback Calculated Property
Cp,gas 473.63 J/mol×K 639.73 Joback Calculated Property
Cp,gas 487.21 J/mol×K 671.58 Joback Calculated Property
Cp,gas 500.06 J/mol×K 703.44 Joback Calculated Property
Cp,gas 512.21 J/mol×K 735.30 Joback Calculated Property
Cp,gas 523.67 J/mol×K 767.15 Joback Calculated Property
Cp,gas 534.45 J/mol×K 799.01 Joback Calculated Property

Similar Compounds

2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, isohexyl ester. 4-Fluorobenzoic acid, 2-methylpentyl ester. 2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,5-Difluorobenzoic acid, cyclohexylmethyl ester. 3,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2,4-Difluorobenzoic acid, pentyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, hexyl ester. 2,4-Difluorobenzoic acid, heptyl ester. 2,4-Difluorobenzoic acid, hexadecyl ester.

Find more compounds similar to 2,4-Difluorobenzoic acid, 2-methylpentyl ester.

Sources

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