Chemical Properties of 3-Chloro-2-fluorobenzoic 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

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InChI
InChI=1S/C12H6ClF9O2/c13-6-3-1-2-5(7(6)14)8(23)24-4-10(17,18)12(21,22)11(19,20)9(15)16/h1-3,9H,4H2
InChI Key
YBSFCAMNTKNDEA-UHFFFAOYSA-N
Formula
C12H6ClF9O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(Cl)c1F
Molecular Weight1
388.61
Sources

Physical Properties

Property Value Unit Source
Δf -1849.75 kJ/mol Joback Calculated Property
Δfgas -2134.48 kJ/mol Joback Calculated Property
Δfus 29.04 kJ/mol Joback Calculated Property
Δvap 47.82 kJ/mol Joback Calculated Property
logPoct/wat 4.807 Crippen Calculated Property
Pc 1736.11 kPa Joback Calculated Property
Tboil 607.62 K Joback Calculated Property
Tc 779.99 K Joback Calculated Property
Tfus 376.11 K Joback Calculated Property
Vc 0.795 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 504.53 J/mol×K 607.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 9
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
-Cl 1
>C< 3
>C=O (nonring) 1

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Pentafluorobenzoic 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. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, undecyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, heptyl ester. 3-Chloro-2-fluorobenzoic acid, nonyl ester. 3-Chloro-2-fluorobenzoic acid, 6-chlorohexyl ester. 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, cyclohexyl ester.

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