Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 2,4-dichloro-6-formylphenyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, 2,4-dichloro-6-formylphenyl ester

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InChI
InChI=1S/C15H6Cl2F4O3/c16-10-2-8(6-22)13(12(17)5-10)24-14(23)7-1-9(15(19,20)21)4-11(18)3-7/h1-6H
InChI Key
CIQBMLCHTUIDJO-UHFFFAOYSA-N
Formula
C15H6Cl2F4O3
SMILES
O=Cc1cc(Cl)cc(Cl)c1OC(=O)c1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
381.11
Sources

Physical Properties

Property Value Unit Source
Δf -881.61 kJ/mol Joback Calculated Property
Δfgas -1092.27 kJ/mol Joback Calculated Property
Δfus 39.12 kJ/mol Joback Calculated Property
Δvap 76.93 kJ/mol Joback Calculated Property
logPoct/wat 5.18 Crippen Calculated Property
Pc 2092.66 kPa Joback Calculated Property
Tboil 814.52 K Joback Calculated Property
Tc 1036.79 K Joback Calculated Property
Tfus 553.03 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 550.01 J/mol×K 814.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 4
=CH- (ring) 5
=C< (ring) 7
-Cl 2
>C< 1
O=CH- (aldehyde) 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,4-dichloro-6-formylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2,4-dichloro-6-formylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2,4-dichloronaphth-1-yl ester. 3-Chloro-2-fluorobenzoic acid, 2,4-dichloro-6-formylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-methoxyphenyl ester.

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