Chemical Properties of 2-Fluorobenzoic acid, butyl ester

2-Fluorobenzoic acid, butyl ester

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InChI
InChI=1S/C11H13FO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3
InChI Key
FJBYSTBVNZDKFV-UHFFFAOYSA-N
Formula
C11H13FO2
SMILES
CCCCOC(=O)c1ccccc1F
Molecular Weight1
196.22
Sources

Physical Properties

Property Value Unit Source
Δf -284.21 kJ/mol Joback Calculated Property
Δfgas -486.22 kJ/mol Joback Calculated Property
Δfus 23.76 kJ/mol Joback Calculated Property
Δvap 51.36 kJ/mol Joback Calculated Property
logPoct/wat 2.78 Crippen Calculated Property
Pc 2611.07 kPa Joback Calculated Property
Tboil 558.30 K Joback Calculated Property
Tc 758.64 K Joback Calculated Property
Tfus 325.42 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 354.38 J/mol×K 558.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Fluorobenzoic acid, 3-methylbutyl ester. Propyl 2-fluorobenzoate. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester. Ethyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, hexyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

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