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

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

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InChI
InChI=1S/C14H6Cl3F3O3/c1-22-13-11(19)5(2-9(18)12(13)20)14(21)23-10-4-7(16)6(15)3-8(10)17/h2-4H,1H3
InChI Key
XJURORRGGKGZNA-UHFFFAOYSA-N
Formula
C14H6Cl3F3O3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1F
Molecular Weight1
385.55
Sources

Physical Properties

Property Value Unit Source
Δf -734.73 kJ/mol Joback Calculated Property
Δfgas -952.09 kJ/mol Joback Calculated Property
Δfus 43.18 kJ/mol Joback Calculated Property
Δvap 78.21 kJ/mol Joback Calculated Property
logPoct/wat 5.29 Crippen Calculated Property
Pc 2025.41 kPa Joback Calculated Property
Tboil 816.75 K Joback Calculated Property
Tc 1040.61 K Joback Calculated Property
Tfus 573.94 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 520.44 J/mol×K 816.75 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 3
=C< (ring) 9
-Cl 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

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

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