Chemical Properties of 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester

2,6-Difluorobenzoic acid, oct-3-en-2-yl ester

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InChI
InChI=1S/C15H18F2O2/c1-3-4-5-6-8-11(2)19-15(18)14-12(16)9-7-10-13(14)17/h6-11H,3-5H2,1-2H3/b8-6+
InChI Key
AFBRFUZNFBUQNO-SOFGYWHQSA-N
Formula
C15H18F2O2
SMILES
CCCCC=CC(C)OC(=O)c1c(F)cccc1F
Molecular Weight1
268.30
Other Names
  • 1-Methyl-2-heptenyl 2,6-difluorobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -377.19 kJ/mol Joback Calculated Property
Δfgas -664.42 kJ/mol Joback Calculated Property
Δfus 33.49 kJ/mol Joback Calculated Property
Δvap 59.68 kJ/mol Joback Calculated Property
logPoct/wat 4.26 Crippen Calculated Property
Pc 1824.72 kPa Joback Calculated Property
Tboil 657.79 K Joback Calculated Property
Tc 851.70 K Joback Calculated Property
Tfus 363.53 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 540.48 J/mol×K 657.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Fluorobenzoic acid, oct-3-en-2-yl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester. Pentafluorobenzoic acid, oct-3-en-2-yl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester.

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