Chemical Properties of 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

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InChI
InChI=1S/C12H6F10O2/c13-5-1-2-6(7(14)3-5)8(23)24-4-10(17,18)12(21,22)11(19,20)9(15)16/h1-3,9H,4H2
InChI Key
YXXJRJWUGWOKGP-UHFFFAOYSA-N
Formula
C12H6F10O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(F)cc1F
Molecular Weight1
372.16
Sources

Physical Properties

Property Value Unit Source
Δf -2032.63 kJ/mol Joback Calculated Property
Δfgas -2314.85 kJ/mol Joback Calculated Property
Δfus 27.92 kJ/mol Joback Calculated Property
Δvap 42.62 kJ/mol Joback Calculated Property
logPoct/wat 4.29 Crippen Calculated Property
Pc 1724.59 kPa Joback Calculated Property
Tboil 569.46 K Joback Calculated Property
Tc 730.78 K Joback Calculated Property
Tfus 346.78 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 485.73 J/mol×K 569.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 10
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
>C< 3
>C=O (nonring) 1

Similar Compounds

Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Isophthalic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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