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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 44.76 kJ/mol Joback Calculated Property
logPoct/wat 5.292 Crippen Calculated Property
McVol 215.940 ml/mol McGowan Calculated Property
Inp [2311.00; 2311.00]   Show Hide
Inp 2311.00 NIST
Inp 2311.00 NIST
Tboil 606.23 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 [302.37; 555.90] 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 A1.30300e+02
Coefficient B6.97320e-01
Coefficient C-2.35720e-04
Coefficient D-3.60000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 302.37 J/mol×K 273.00 Calculated Property
Cp,gas 345.90 J/mol×K 353.78 Calculated Property
Cp,gas 385.86 J/mol×K 434.56 Calculated Property
Cp,gas 422.13 J/mol×K 515.33 Calculated Property
Cp,gas 454.59 J/mol×K 596.11 Calculated Property
Cp,gas 483.14 J/mol×K 676.89 Calculated Property
Cp,gas 507.66 J/mol×K 757.67 Calculated Property
Cp,gas 528.04 J/mol×K 838.44 Calculated Property
Cp,gas 544.15 J/mol×K 919.22 Calculated Property
Cp,gas 555.90 J/mol×K 1000.00 Calculated Property

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, 4-cyanophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-difluophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-dimethylphenyl ester. 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl 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, 2,4,5-trichlorophenyl ester.

Sources

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