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

2,5-Difluorobenzoic acid, 2-pentyl ester

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InChI
InChI=1S/C12H14F2O2/c1-3-4-8(2)16-12(15)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3
InChI Key
UBXFMWVPPLDVAC-UHFFFAOYSA-N
Formula
C12H14F2O2
SMILES
CCCC(C)OC(=O)c1cc(F)ccc1F
Molecular Weight1
228.24
Sources

Physical Properties

Property Value Unit Source
Δf -482.67 kJ/mol Joback Calculated Property
Δfgas -719.72 kJ/mol Joback Calculated Property
Δfus 25.52 kJ/mol Joback Calculated Property
Δvap 53.04 kJ/mol Joback Calculated Property
logPoct/wat 3.31 Crippen Calculated Property
Pc 2256.81 kPa Joback Calculated Property
Tboil 584.99 K Joback Calculated Property
Tc 778.46 K Joback Calculated Property
Tfus 334.80 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 410.17 J/mol×K 584.99 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,5-Difluorobenzoic acid, isopropyl ester. 2,5-Difluorobenzoic acid, neopentyl ester. 2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 2,6-Difluorobenzoic acid,2-tetradecyl ester. 2-Fluorobenzoic acid, butyl ester. 1,2-dimethylpropyl pentafluorobenzoate. 2,6-Difluorobenzoic acid, 4-tridecyl ester. 2,6-Difluorobenzoic acid, 3-pentadecyl ester. 2,6-Difluorobenzoic acid, 4-tetradecyl ester. Pentafluorobenzoic acid, butyl ester. 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate.

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