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

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

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InChI
InChI=1S/C13H16F2O2/c1-8-5-6-9(14)10(11(8)15)12(16)17-7-13(2,3)4/h5-6H,7H2,1-4H3
InChI Key
MFRFHODKXZORNB-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
Cc1ccc(F)c(C(=O)OCC(C)(C)C)c1F
Molecular Weight1
242.26
Sources

Physical Properties

Property Value Unit Source
Δf -478.60 kJ/mol Joback Calculated Property
Δfgas -755.30 kJ/mol Joback Calculated Property
Δfus 23.83 kJ/mol Joback Calculated Property
Δvap 55.02 kJ/mol Joback Calculated Property
logPoct/wat 3.476 Crippen Calculated Property
Pc 2056.76 kPa Joback Calculated Property
Tboil 610.06 K Joback Calculated Property
Tc 808.72 K Joback Calculated Property
Tfus 376.01 K Joback Calculated Property
Vc 0.705 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 461.70 J/mol×K 610.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 4
=CH- (ring) 2
=C< (ring) 4
-CH2- 1
-F 2
>C< 1
>C=O (nonring) 1

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, neopentyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester.

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