Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, methyl ester

2,6-Difluoro-3-methylbenzoic acid, methyl ester

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InChI
InChI=1S/C9H8F2O2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,1-2H3
InChI Key
GFNPHCOGNULPLS-UHFFFAOYSA-N
Formula
C9H8F2O2
SMILES
COC(=O)c1c(F)ccc(C)c1F
Molecular Weight1
186.16
Sources

Physical Properties

Property Value Unit Source
Δf -515.12 kJ/mol Joback Calculated Property
Δfgas -663.99 kJ/mol Joback Calculated Property
Δfus 20.89 kJ/mol Joback Calculated Property
Δvap 47.41 kJ/mol Joback Calculated Property
logPoct/wat 2.06 Crippen Calculated Property
Pc 2953.69 kPa Joback Calculated Property
Tboil 521.77 K Joback Calculated Property
Tc 720.11 K Joback Calculated Property
Tfus 328.51 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 272.27 J/mol×K 521.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
=CH- (ring) 2
=C< (ring) 4
>C=O (nonring) 1
-CH3 2

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester. Methyl 2,6-difluorobenzoate. 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester. Methyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, methyl ester.

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