Chemical Properties of 2,6-Difluorobenzoic acid, ethyl ester (CAS 19064-14-3)

2,6-Difluorobenzoic acid, ethyl ester

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InChI
InChI=1S/C9H8F2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChI Key
FBQKPNPHWYPJFU-UHFFFAOYSA-N
Formula
C9H8F2O2
SMILES
CCOC(=O)c1c(F)cccc1F
Molecular Weight1
186.16
CAS
19064-14-3
Sources

Physical Properties

Property Value Unit Source
Δf -505.49 kJ/mol Joback Calculated Property
Δfgas -652.52 kJ/mol Joback Calculated Property
Δfus 21.28 kJ/mol Joback Calculated Property
Δvap 46.75 kJ/mol Joback Calculated Property
logPoct/wat 2.14 Crippen Calculated Property
Pc 3002.44 kPa Joback Calculated Property
Tboil 516.79 K Joback Calculated Property
Tc 714.01 K Joback Calculated Property
Tfus 315.99 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 272.63 J/mol×K 516.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. Methyl 2,6-difluorobenzoate. Ethyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. Propyl 2-fluorobenzoate. 2,4-Difluorobenzoic acid, isopropyl ester. 2,6-difluorobenzoic acid, tridec-2-ynyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester.

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