Chemical Properties of 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester

2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C12H12F2O2/c1-8(2)6-7-16-12(15)11-9(13)4-3-5-10(11)14/h3-6H,7H2,1-2H3
InChI Key
YQNYJIWZPQVFMT-UHFFFAOYSA-N
Formula
C12H12F2O2
SMILES
CC(C)=CCOC(=O)c1c(F)cccc1F
Molecular Weight1
226.22
Sources

Physical Properties

Property Value Unit Source
Δf -408.56 kJ/mol Joback Calculated Property
Δfgas -607.01 kJ/mol Joback Calculated Property
Δfus 27.94 kJ/mol Joback Calculated Property
Δvap 53.47 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2365.67 kPa Joback Calculated Property
Tboil 589.47 K Joback Calculated Property
Tc 790.29 K Joback Calculated Property
Tfus 330.76 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 389.54 J/mol×K 589.47 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester.

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