Chemical Properties of 2,5-Difluorobenzoic acid, neopentyl ester

2,5-Difluorobenzoic acid, neopentyl ester

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InChI
InChI=1S/C12H14F2O2/c1-12(2,3)7-16-11(15)9-6-8(13)4-5-10(9)14/h4-6H,7H2,1-3H3
InChI Key
FMSSMYKYTBRTDG-UHFFFAOYSA-N
Formula
C12H14F2O2
SMILES
CC(C)(C)COC(=O)c1cc(F)ccc1F
Molecular Weight1
228.24
Sources

Physical Properties

Property Value Unit Source
Δf -477.39 kJ/mol Joback Calculated Property
Δfgas -723.19 kJ/mol Joback Calculated Property
Δfus 21.63 kJ/mol Joback Calculated Property
Δvap 52.13 kJ/mol Joback Calculated Property
logPoct/wat 3.17 Crippen Calculated Property
Pc 2280.59 kPa Joback Calculated Property
Tboil 582.20 K Joback Calculated Property
Tc 782.68 K Joback Calculated Property
Tfus 352.22 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 413.12 J/mol×K 582.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 2,5-Difluorobenzoic acid, isopropyl ester. 2,5-Difluorobenzoic acid, 2-pentyl ester. Neopentyl 2,3,4,5,6-pentafluorobenzoate. 2,5-Difluorobenzoic acid, methyl ester. Pentafluorobenzoic acid, 2-methylpropyl ester. Propyl 2-fluorobenzoate. 2,4-Difluorobenzoic acid, neopentyl ester. 2-Fluorobenzoic acid, butyl ester. Pentafluorobenzoic acid, propyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. Pentafluorobenzoic acid, butyl ester. Isopentyl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to 2,5-Difluorobenzoic acid, neopentyl ester.

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