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

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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 42.53 kJ/mol Joback Calculated Property
logPoct/wat 4.999 Crippen Calculated Property
McVol 240.000 ml/mol McGowan Calculated Property
Inp [2654.00; 2654.00]   Show Hide
Inp 2654.00 NIST
Inp 2654.00 NIST
Tboil 680.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [327.08; 728.19] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.36700e+01
Coefficient B1.28702e+00
Coefficient C-6.66200e-04
Coefficient D8.37000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 327.08 J/mol×K 273.00 Calculated Property
Cp,gas 399.31 J/mol×K 353.78 Calculated Property
Cp,gas 464.02 J/mol×K 434.56 Calculated Property
Cp,gas 521.45 J/mol×K 515.33 Calculated Property
Cp,gas 571.87 J/mol×K 596.11 Calculated Property
Cp,gas 615.56 J/mol×K 676.89 Calculated Property
Cp,gas 652.77 J/mol×K 757.67 Calculated Property
Cp,gas 683.77 J/mol×K 838.44 Calculated Property
Cp,gas 708.82 J/mol×K 919.22 Calculated Property
Cp,gas 728.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester.

Sources

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