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

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

InChI
InChI=1S/C14H7F5O3/c1-21-13-11(18)9(5-10(17)12(13)19)14(20)22-8-3-6(15)2-7(16)4-8/h2-5H,1H3
InChI Key
ZKHDHVKIKPMOFG-UHFFFAOYSA-N
Formula
C14H7F5O3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2cc(F)cc(F)c2)c1F
Molecular Weight1
318.20
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Physical Properties

Property Value Unit Source
ΔfusH° 38.72 kJ/mol Joback Calculated Property
logPoct/wat 3.610 Crippen Calculated Property
McVol 182.760 ml/mol McGowan Calculated Property
Inp [1749.00; 1749.00]   Show Hide
Inp 1749.00 NIST
Inp 1749.00 NIST
Tboil 566.97 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 [276.00; 548.27] 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 A8.95100e+01
Coefficient B7.60020e-01
Coefficient C-2.74360e-04
Coefficient D-2.69000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 276.00 J/mol×K 273.00 Calculated Property
Cp,gas 322.86 J/mol×K 353.78 Calculated Property
Cp,gas 365.76 J/mol×K 434.56 Calculated Property
Cp,gas 404.63 J/mol×K 515.33 Calculated Property
Cp,gas 439.37 J/mol×K 596.11 Calculated Property
Cp,gas 469.91 J/mol×K 676.89 Calculated Property
Cp,gas 496.15 J/mol×K 757.67 Calculated Property
Cp,gas 518.02 J/mol×K 838.44 Calculated Property
Cp,gas 535.42 J/mol×K 919.22 Calculated Property
Cp,gas 548.27 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-methoxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-chlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentafluorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-cyanophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-dimethylphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,5-Difluorobenzoic acid, 3,5-difluophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester.

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-difluophenyl ester.

Sources

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