Chemical Properties of 2,4-Difluorobenzoic acid, 3-methylbutyl ester

2,4-Difluorobenzoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C12H14F2O2/c1-8(2)5-6-16-12(15)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6H2,1-2H3
InChI Key
YWAHVXJYTKBLDY-UHFFFAOYSA-N
Formula
C12H14F2O2
SMILES
CC(C)CCOC(=O)c1ccc(F)cc1F
Molecular Weight1
228.24
Sources

Physical Properties

Property Value Unit Source
Δf -482.67 kJ/mol Joback Calculated Property
Δfgas -719.72 kJ/mol Joback Calculated Property
Δfus 25.52 kJ/mol Joback Calculated Property
Δvap 53.04 kJ/mol Joback Calculated Property
logPoct/wat 3.17 Crippen Calculated Property
Pc 2256.81 kPa Joback Calculated Property
Tboil 584.99 K Joback Calculated Property
Tc 778.46 K Joback Calculated Property
Tfus 334.80 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 410.17 J/mol×K 584.99 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2-Fluorobenzoic acid, butyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 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. 2,6-Difluorobenzoic acid, octadecyl ester. Propyl 2-fluorobenzoate.

Find more compounds similar to 2,4-Difluorobenzoic acid, 3-methylbutyl ester.

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