Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester

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InChI
InChI=1S/C14H6Cl2F4O2/c15-10-4-2-8(6-11(10)16)22-13(21)7-1-3-9(12(17)5-7)14(18,19)20/h1-6H
InChI Key
IFYBPFVDKOBTCD-UHFFFAOYSA-N
Formula
C14H6Cl2F4O2
SMILES
O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
353.10
Sources

Physical Properties

Property Value Unit Source
Δf -780.88 kJ/mol Joback Calculated Property
Δfgas -974.58 kJ/mol Joback Calculated Property
Δfus 34.63 kJ/mol Joback Calculated Property
Δvap 67.32 kJ/mol Joback Calculated Property
logPoct/wat 5.37 Crippen Calculated Property
Pc 2165.35 kPa Joback Calculated Property
Tboil 738.00 K Joback Calculated Property
Tc 960.76 K Joback Calculated Property
Tfus 487.24 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 492.48 J/mol×K 738.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 2
=CH- (ring) 6
=C< (ring) 6
-F 4
>C< 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-biphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 4-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester.

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