Chemical Properties of 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C22H14F6O3/c23-21(24,25)15-6-11-19(22(26,27)28)18(12-15)20(29)31-17-9-7-16(8-10-17)30-13-14-4-2-1-3-5-14/h1-12H,13H2
InChI Key
MITDMBOEOCDKCI-UHFFFAOYSA-N
Formula
C22H14F6O3
SMILES
O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
440.34
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Physical Properties

Property Value Unit Source
ΔfusH° 42.90 kJ/mol Joback Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
logPoct/wat 6.522 Crippen Calculated Property
McVol 273.490 ml/mol McGowan Calculated Property
Inp 2480.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [386.08; 861.60] 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 A-3.74190e+01
Coefficient B1.88300e+00
Coefficient C-1.30188e-03
Coefficient D3.17900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 386.08 J/mol×K 273.00 Calculated Property
Cp,gas 479.88 J/mol×K 353.78 Calculated Property
Cp,gas 561.09 J/mol×K 434.56 Calculated Property
Cp,gas 630.72 J/mol×K 515.33 Calculated Property
Cp,gas 689.78 J/mol×K 596.11 Calculated Property
Cp,gas 739.26 J/mol×K 676.89 Calculated Property
Cp,gas 780.18 J/mol×K 757.67 Calculated Property
Cp,gas 813.54 J/mol×K 838.44 Calculated Property
Cp,gas 840.35 J/mol×K 919.22 Calculated Property
Cp,gas 861.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. Benzoic acid, 2-methyl-, 4-benzyloxyphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Trifluoromethylbenzoic acid, 3-methylphenyl ester.

Find more compounds similar to 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester.

Sources

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