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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [823.97; 879.34] J/mol×K [867.74; 1086.42] Show Hide
Cp,gas 823.97 J/mol×K 867.74 Joback Calculated Property
Cp,gas 835.81 J/mol×K 904.19 Joback Calculated Property
Cp,gas 846.48 J/mol×K 940.63 Joback Calculated Property
Cp,gas 856.08 J/mol×K 977.08 Joback Calculated Property
Cp,gas 864.69 J/mol×K 1013.53 Joback Calculated Property
Cp,gas 872.41 J/mol×K 1049.97 Joback Calculated Property
Cp,gas 879.34 J/mol×K 1086.42 Joback 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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