Chemical Properties of 2,4-Difluorobenzoic acid, 8-chlorooctyl ester

2,4-Difluorobenzoic acid, 8-chlorooctyl ester

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InChI
InChI=1S/C15H19ClF2O2/c16-9-5-3-1-2-4-6-10-20-15(19)13-8-7-12(17)11-14(13)18/h7-8,11H,1-6,9-10H2
InChI Key
FJUSSAQRWOUCMC-UHFFFAOYSA-N
Formula
C15H19ClF2O2
SMILES
O=C(OCCCCCCCCCl)c1ccc(F)cc1F
Molecular Weight1
304.76
Sources

Physical Properties

Property Value Unit Source
Δf -466.90 kJ/mol Joback Calculated Property
Δfgas -792.10 kJ/mol Joback Calculated Property
Δfus 41.01 kJ/mol Joback Calculated Property
Δvap 64.49 kJ/mol Joback Calculated Property
logPoct/wat 4.70 Crippen Calculated Property
Pc 1682.41 kPa Joback Calculated Property
Tboil 691.50 K Joback Calculated Property
Tc 880.08 K Joback Calculated Property
Tfus 413.53 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 590.82 J/mol×K 691.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 8
-F 2
>C=O (nonring) 1

Similar Compounds

2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester. 2-Fluorobenzoic acid, butyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, isopropyl ester.

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