Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester

2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester

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InChI
InChI=1S/C14H8F3NO5/c1-22-13-11(16)9(6-10(15)12(13)17)14(19)23-8-4-2-7(3-5-8)18(20)21/h2-6H,1H3
InChI Key
XJTAUUAMKKAXOJ-UHFFFAOYSA-N
Formula
C14H8F3NO5
SMILES
COc1c(F)c(F)cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1F
Molecular Weight1
327.21
Sources

Physical Properties

Property Value Unit Source
Δf -644.13 kJ/mol Joback Calculated Property
Δfgas -892.69 kJ/mol Joback Calculated Property
Δfus 42.73 kJ/mol Joback Calculated Property
Δvap 80.33 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 2336.03 kPa Joback Calculated Property
Tboil 846.34 K Joback Calculated Property
Tc 1078.32 K Joback Calculated Property
Tfus 602.75 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 550.73 J/mol×K 846.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 5
-NO2 1
=C< (ring) 7
-CH3 1
>C=O (nonring) 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. 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl 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. 2,3,4-Trifluorobenzoic acid, 4-nitrophenyl ester.

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