Chemical Properties of 2,6-Difluorobenzoic acid, hexyl ester

2,6-Difluorobenzoic acid, hexyl ester

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InChI
InChI=1S/C13H16F2O2/c1-2-3-4-5-9-17-13(16)12-10(14)7-6-8-11(12)15/h6-8H,2-5,9H2,1H3
InChI Key
GPRXOAISRWZXTF-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
CCCCCCOC(=O)c1c(F)cccc1F
Molecular Weight1
242.26
Sources

Physical Properties

Property Value Unit Source
Δf -471.81 kJ/mol Joback Calculated Property
Δfgas -735.08 kJ/mol Joback Calculated Property
Δfus 31.64 kJ/mol Joback Calculated Property
Δvap 55.65 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 2049.31 kPa Joback Calculated Property
Tboil 608.31 K Joback Calculated Property
Tc 796.03 K Joback Calculated Property
Tfus 361.07 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.91 J/mol×K 608.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 5
-F 2
>C=O (nonring) 1

Similar Compounds

2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid,2-tetradecyl ester. 2-Fluorobenzoic acid, butyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester. 2,6-Difluorobenzoic acid, 4-tridecyl ester. 2,6-Difluorobenzoic acid, 3-pentadecyl ester. 2,6-Difluorobenzoic acid, 4-tetradecyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester.

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