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

2-Fluorobenzoic acid, oct-3-en-2-yl ester

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InChI
InChI=1S/C15H19FO2/c1-3-4-5-6-9-12(2)18-15(17)13-10-7-8-11-14(13)16/h6-12H,3-5H2,1-2H3/b9-6+
InChI Key
WKAAQJWBEIEQEX-RMKNXTFCSA-N
Formula
C15H19FO2
SMILES
CCCCC=CC(C)OC(=O)c1ccccc1F
Molecular Weight1
250.31
Sources

Physical Properties

Property Value Unit Source
Δf -172.75 kJ/mol Joback Calculated Property
Δfgas -456.84 kJ/mol Joback Calculated Property
Δfus 30.80 kJ/mol Joback Calculated Property
Δvap 59.83 kJ/mol Joback Calculated Property
logPoct/wat 4.12 Crippen Calculated Property
Pc 1921.98 kPa Joback Calculated Property
Tboil 653.54 K Joback Calculated Property
Tc 854.55 K Joback Calculated Property
Tfus 350.42 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 533.01 J/mol×K 653.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-F 1
=CH- 2
>C=O (nonring) 1

Similar Compounds

2,6-Difluorobenzoic acid, oct-3-en-2-yl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. Ethyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. Propyl 2-fluorobenzoate. Pentafluorobenzoic acid, oct-3-en-2-yl ester. 2,5-Difluorobenzoic acid, isopropyl ester. 4-Fluorobenzoic acid. oct-3-en-2-yl ester.

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