Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

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InChI
InChI=1S/C11H5ClF8O2/c12-6-3-1-2-5(7(6)13)8(21)22-4-9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
InChI Key
WCFCNXHSTQWYIC-UHFFFAOYSA-N
Formula
C11H5ClF8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cl)c1F
Molecular Weight1
356.60
Sources

Physical Properties

Property Value Unit Source
Δf -1660.92 kJ/mol Joback Calculated Property
Δfgas -1912.45 kJ/mol Joback Calculated Property
Δfus 26.89 kJ/mol Joback Calculated Property
Δvap 46.80 kJ/mol Joback Calculated Property
logPoct/wat 4.469 Crippen Calculated Property
Pc 1945.79 kPa Joback Calculated Property
Tboil 585.91 K Joback Calculated Property
Tc 763.33 K Joback Calculated Property
Tfus 379.25 K Joback Calculated Property
Vc 0.728 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.34 J/mol×K 585.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
-F 8
>C< 3
>C=O (nonring) 1

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, heptyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, nonyl ester. 3-Chloro-2-fluorobenzoic acid, undecyl ester. 3-Chloro-2-fluorobenzoic acid, 6-chlorohexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, cyclohexyl ester. 3-Chloro2-fluorobenzoic acid, 3-hexadecyl ester. 3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester. 3-Chloro-2-fluorobenzoic acid, cyclohexylmethyl ester.

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