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

2,6-Difluorobenzoic acid, octadecyl ester

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InChI
InChI=1S/C25H40F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-25(28)24-22(26)19-18-20-23(24)27/h18-20H,2-17,21H2,1H3
InChI Key
XOWVGUWZAIOVHI-UHFFFAOYSA-N
Formula
C25H40F2O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1c(F)cccc1F
Molecular Weight1
410.58
Sources

Physical Properties

Property Value Unit Source
Δf -370.77 kJ/mol Joback Calculated Property
Δfgas -982.76 kJ/mol Joback Calculated Property
Δfus 62.72 kJ/mol Joback Calculated Property
Δvap 82.37 kJ/mol Joback Calculated Property
logPoct/wat 8.38 Crippen Calculated Property
Pc 885.24 kPa Joback Calculated Property
Tboil 882.87 K Joback Calculated Property
Tc 1080.89 K Joback Calculated Property
Tfus 496.31 K Joback Calculated Property
Vc 1.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1143.96 J/mol×K 882.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 17
-CH3 1
>C=O (nonring) 1

Similar Compounds

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

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