Chemical Properties of Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester

Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester

InChI
InChI=1S/C23H22F6O4/c1-3-21(4-2,19(30)32-13-15-5-9-17(10-6-15)22(24,25)26)20(31)33-14-16-7-11-18(12-8-16)23(27,28)29/h5-12H,3-4,13-14H2,1-2H3
InChI Key
MCWGFITXDWIRIW-UHFFFAOYSA-N
Formula
C23H22F6O4
SMILES
CCC(CC)(C(=O)OCc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
476.41
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Physical Properties

Property Value Unit Source
ΔfusH° 47.61 kJ/mol Joback Calculated Property
logPoct/wat 6.317 Crippen Calculated Property
McVol 312.910 ml/mol McGowan Calculated Property
Inp [2279.00; 2279.00]   Show Hide
Inp 2279.00 NIST
Inp 2279.00 NIST
Tboil 650.41 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 [461.47; 1025.83] 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-4.32860e+01
Coefficient B2.25064e+00
Coefficient C-1.58032e-03
Coefficient D3.98800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 461.47 J/mol×K 273.00 Calculated Property
Cp,gas 572.81 J/mol×K 353.78 Calculated Property
Cp,gas 669.04 J/mol×K 434.56 Calculated Property
Cp,gas 751.44 J/mol×K 515.33 Calculated Property
Cp,gas 821.26 J/mol×K 596.11 Calculated Property
Cp,gas 879.76 J/mol×K 676.89 Calculated Property
Cp,gas 928.21 J/mol×K 757.67 Calculated Property
Cp,gas 967.86 J/mol×K 838.44 Calculated Property
Cp,gas 999.98 J/mol×K 919.22 Calculated Property
Cp,gas 1025.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, ethyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester. Diethylmalonic acid, di(3-methylbenzyl) ester. Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, di(3-chlorobenzyl) ester. Diethylmalonic acid, 4-chlorobenzyl ethyl ester. Diethylmalonic acid, ethyl 3-methylbenzyl ester. Diethylmalonic acid, di(3,4-difluorobenzyl) ester. Diethylmalonic acid, 4-chlorobenzyl propyl ester.

Find more compounds similar to Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester.

Sources

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