Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester

3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester

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InChI
InChI=1S/C20H13F3O3/c1-25-19-17(22)15(11-16(21)18(19)23)20(24)26-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3
InChI Key
RWANLUGHJXIBLA-UHFFFAOYSA-N
Formula
C20H13F3O3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1F
Molecular Weight1
358.31
Sources

Physical Properties

Property Value Unit Source
Δf -516.75 kJ/mol Joback Calculated Property
Δfgas -769.24 kJ/mol Joback Calculated Property
Δfus 40.95 kJ/mol Joback Calculated Property
Δvap 79.37 kJ/mol Joback Calculated Property
logPoct/wat 5.00 Crippen Calculated Property
Pc 1848.33 kPa Joback Calculated Property
Tboil 858.46 K Joback Calculated Property
Tc 1088.20 K Joback Calculated Property
Tfus 553.18 K Joback Calculated Property
Vc 0.93 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 688.32 J/mol×K 858.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 10
=C< (ring) 8
>C=O (nonring) 1
-CH3 1

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, phenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-difluophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-dimethylphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-chlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-cyanophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-propylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, ethyl ester.

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