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

2,6-Difluorobenzoic acid, hexadecyl ester

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InChI
InChI=1S/C23H36F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-23(26)22-20(24)17-16-18-21(22)25/h16-18H,2-15,19H2,1H3
InChI Key
XZEGTEHJIAIBAM-UHFFFAOYSA-N
Formula
C23H36F2O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)c1c(F)cccc1F
Molecular Weight1
382.53
Sources

Physical Properties

Property Value Unit Source
Δf -387.61 kJ/mol Joback Calculated Property
Δfgas -941.48 kJ/mol Joback Calculated Property
Δfus 57.54 kJ/mol Joback Calculated Property
Δvap 77.91 kJ/mol Joback Calculated Property
logPoct/wat 7.60 Crippen Calculated Property
Pc 995.76 kPa Joback Calculated Property
Tboil 837.11 K Joback Calculated Property
Tc 1026.91 K Joback Calculated Property
Tfus 473.77 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1020.49 J/mol×K 837.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 15
-CH3 1
>C=O (nonring) 1

Similar Compounds

2,6-Difluorobenzoic acid, octadecyl 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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