Chemical Properties of 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester

2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester

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InChI
InChI=1S/C10H7ClF2O2/c11-5-2-6-15-10(14)9-7(12)3-1-4-8(9)13/h1-5H,6H2/b5-2+
InChI Key
WKAFCDBHJQUKJC-GORDUTHDSA-N
Formula
C10H7ClF2O2
SMILES
O=C(OCC=CCl)c1c(F)cccc1F
Molecular Weight1
232.61
Sources

Physical Properties

Property Value Unit Source
Δf -428.78 kJ/mol Joback Calculated Property
Δfgas -571.68 kJ/mol Joback Calculated Property
Δfus 28.27 kJ/mol Joback Calculated Property
Δvap 53.32 kJ/mol Joback Calculated Property
logPoct/wat 2.874 Crippen Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Tboil 581.26 K Joback Calculated Property
Tc 788.87 K Joback Calculated Property
Tfus 352.10 K Joback Calculated Property
Vc 0.577 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 321.57 J/mol×K 581.26 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. Methyl 2,6-difluorobenzoate. Ethyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-difluorobenzoic acid, tridec-2-ynyl ester.

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