Chemical Properties of 4-Trifluoromethylbenzoic acid, 3-methylphenyl ester

4-Trifluoromethylbenzoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C15H11F3O2/c1-10-3-2-4-13(9-10)20-14(19)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3
InChI Key
JWHXDDZSRXZNAN-UHFFFAOYSA-N
Formula
C15H11F3O2
SMILES
Cc1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1
Molecular Weight1
280.24
Sources

Physical Properties

Property Value Unit Source
Δf -534.53 kJ/mol Joback Calculated Property
Δfgas -744.69 kJ/mol Joback Calculated Property
Δfus 26.52 kJ/mol Joback Calculated Property
Δvap 60.27 kJ/mol Joback Calculated Property
logPoct/wat 4.23 Crippen Calculated Property
Pc 2276.24 kPa Joback Calculated Property
Tboil 676.79 K Joback Calculated Property
Tc 897.71 K Joback Calculated Property
Tfus 413.04 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 491.84 J/mol×K 676.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 8
=C< (ring) 4
>C< 1
-CH3 1
>C=O (nonring) 1

Similar Compounds

4-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 4-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 4-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester. p-Toluylic acid, 3-methylphenyl ester. 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. P-toluic acid, 3,5-dimethylphenyl ester. 4-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 4-Ethylbenzoic acid, 3-methylphenyl ester. Benzoic acid, 3-methylphenyl ester. 4-Methylbenzoic acid, 3-ethylphenyl ester. 3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 4-Ethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylphenyl ester. Benzoic acid, 3-ethylphenyl ester. p-Anisic acid, 3-methylphenyl ester.

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