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

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

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InChI
InChI=1S/C16H12F4O2/c1-9-3-5-12(7-10(9)2)22-15(21)11-4-6-13(14(17)8-11)16(18,19)20/h3-8H,1-2H3
InChI Key
KGMKSPLDVPCVCW-UHFFFAOYSA-N
Formula
C16H12F4O2
SMILES
Cc1ccc(OC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1C
Molecular Weight1
312.26
Sources

Physical Properties

Property Value Unit Source
Δf -740.18 kJ/mol Joback Calculated Property
Δfgas -984.38 kJ/mol Joback Calculated Property
Δfus 31.42 kJ/mol Joback Calculated Property
Δvap 63.00 kJ/mol Joback Calculated Property
logPoct/wat 4.68 Crippen Calculated Property
Pc 1945.79 kPa Joback Calculated Property
Tboil 708.90 K Joback Calculated Property
Tc 919.14 K Joback Calculated Property
Tfus 449.94 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 549.34 J/mol×K 708.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 4
=CH- (ring) 6
=C< (ring) 6
>C< 1
-CH3 2
>C=O (nonring) 1

Similar Compounds

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

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