Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester

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InChI
InChI=1S/C20H12F4O2/c21-16-11-14(10-15(12-16)20(22,23)24)19(25)26-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-12H
InChI Key
MPLIYUSDNTVCPP-UHFFFAOYSA-N
Formula
C20H12F4O2
SMILES
O=C(Oc1ccccc1-c1ccccc1)c1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
360.30
Sources

Physical Properties

Property Value Unit Source
Δf -584.46 kJ/mol Joback Calculated Property
Δfgas -818.94 kJ/mol Joback Calculated Property
Δfus 36.20 kJ/mol Joback Calculated Property
Δvap 73.52 kJ/mol Joback Calculated Property
logPoct/wat 5.73 Crippen Calculated Property
Pc 1882.17 kPa Joback Calculated Property
Tboil 822.12 K Joback Calculated Property
Tc 1054.29 K Joback Calculated Property
Tfus 508.92 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 674.25 J/mol×K 822.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 4
=CH- (ring) 12
=C< (ring) 6
>C< 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-biphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester. Isophthalic acid, monochloride, 2-biphenyl ester. Isophthalic acid, 2-biphenyl ethyl ester. Isophthalic acid, 2-biphenyl propyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester. Isophthalic acid, 2-biphenyl butyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-biphenyl ester. Isophthalic acid, 2-biphenyl isobutyl ester. Isophthalic acid, 2-biphenyl pentyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. Isophthalic acid, 2-biphenyl hexyl ester. Isophthalic acid, 2-biphenyl nonyl ester.

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