Chemical Properties of Methyl 2,6-difluorobenzoate (CAS 13671-00-6)

Methyl 2,6-difluorobenzoate

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InChI
InChI=1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key
QNPFLTKQLFSKBY-UHFFFAOYSA-N
Formula
C8H6F2O2
SMILES
COC(=O)c1c(F)cccc1F
Molecular Weight1
172.13
CAS
13671-00-6
Other Names
  • 2,6-Difluorobenzoic acid, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -513.91 kJ/mol Joback Calculated Property
Δfgas -631.88 kJ/mol Joback Calculated Property
Δfus 18.69 kJ/mol Joback Calculated Property
Δvap 44.52 kJ/mol Joback Calculated Property
logPoct/wat 1.75 Crippen Calculated Property
Pc 3345.11 kPa Joback Calculated Property
Tboil 493.91 K Joback Calculated Property
Tc 693.80 K Joback Calculated Property
Tfus 304.72 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 230.70 J/mol×K 493.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Difluorobenzoic acid, ethyl ester. Methyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. Ethyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,4,6-Trifluorobenzoic acid. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,5-Difluorobenzoic acid, methyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester.

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