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

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

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InChI
InChI=1S/C13H16F2O2/c1-4-5-9(3)17-13(16)11-10(14)7-6-8(2)12(11)15/h6-7,9H,4-5H2,1-3H3
InChI Key
QCNOMFNXDSXBRC-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
CCCC(C)OC(=O)c1c(F)ccc(C)c1F
Molecular Weight1
242.26
Sources

Physical Properties

Property Value Unit Source
Δf -483.88 kJ/mol Joback Calculated Property
Δfgas -751.83 kJ/mol Joback Calculated Property
Δfus 27.72 kJ/mol Joback Calculated Property
Δvap 55.93 kJ/mol Joback Calculated Property
logPoct/wat 3.62 Crippen Calculated Property
Pc 2036.39 kPa Joback Calculated Property
Tboil 612.85 K Joback Calculated Property
Tc 804.91 K Joback Calculated Property
Tfus 358.59 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.91 J/mol×K 612.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 2
-F 2
>C=O (nonring) 1

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 2,6-Difluorobenzoic acid,2-tetradecyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2,6-Difluorobenzoic acid, 3-pentadecyl ester. 2,6-Difluorobenzoic acid, 4-tridecyl ester. 2,6-Difluorobenzoic acid, 4-tetradecyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-pentyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester.

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

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