Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester

2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester

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InChI
InChI=1S/C14H17ClF2O2/c1-10-6-7-11(16)12(13(10)17)14(18)19-9-5-3-2-4-8-15/h6-7H,2-5,8-9H2,1H3
InChI Key
LIBCWLJDORTDFR-UHFFFAOYSA-N
Formula
C14H17ClF2O2
SMILES
Cc1ccc(F)c(C(=O)OCCCCCCCl)c1F
Molecular Weight1
290.73
Sources

Physical Properties

Property Value Unit Source
Δf -484.95 kJ/mol Joback Calculated Property
Δfgas -782.93 kJ/mol Joback Calculated Property
Δfus 38.03 kJ/mol Joback Calculated Property
Δvap 62.93 kJ/mol Joback Calculated Property
logPoct/wat 4.229 Crippen Calculated Property
Pc 1800.03 kPa Joback Calculated Property
Tboil 673.60 K Joback Calculated Property
Tc 864.47 K Joback Calculated Property
Tfus 414.78 K Joback Calculated Property
Vc 0.821 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 537.37 J/mol×K 673.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
=CH- (ring) 2
=C< (ring) 4
-CH2- 6
-F 2
-CH3 1

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2,6-Difluorobenzoic acid,2-tetradecyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester.

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