Chemical Properties of 2-Fluorobenzoic acid, 3-methylbutyl ester

2-Fluorobenzoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C12H15FO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3
InChI Key
CQOFKUHFJAYIOP-UHFFFAOYSA-N
Formula
C12H15FO2
SMILES
CC(C)CCOC(=O)c1ccccc1F
Molecular Weight1
210.24
Sources

Physical Properties

Property Value Unit Source
Δf -278.23 kJ/mol Joback Calculated Property
Δfgas -512.14 kJ/mol Joback Calculated Property
Δfus 22.83 kJ/mol Joback Calculated Property
Δvap 53.19 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2391.19 kPa Joback Calculated Property
Tboil 580.74 K Joback Calculated Property
Tc 782.26 K Joback Calculated Property
Tfus 321.69 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 402.33 J/mol×K 580.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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