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

2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester

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InChI
InChI=1S/C13H16F2O3/c1-9(5-6-17-2)8-18-13(16)11-4-3-10(14)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3
InChI Key
MNPVEZYRRIXDBB-UHFFFAOYSA-N
Formula
C13H16F2O3
SMILES
COCCC(C)COC(=O)c1ccc(F)cc1F
Molecular Weight1
258.26
Sources

Physical Properties

Property Value Unit Source
Δf -579.25 kJ/mol Joback Calculated Property
Δfgas -872.58 kJ/mol Joback Calculated Property
Δfus 29.30 kJ/mol Joback Calculated Property
Δvap 57.68 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 2032.72 kPa Joback Calculated Property
Tboil 630.29 K Joback Calculated Property
Tc 820.21 K Joback Calculated Property
Tfus 368.30 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 485.51 J/mol×K 630.29 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2-Fluorobenzoic acid, butyl 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. 2,4-Difluorobenzoic acid, isopropyl ester.

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

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