Chemical Properties of Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester

Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester

InChI
InChI=1S/C20H27F3O4/c1-4-7-8-13-26-17(24)19(5-2,6-3)18(25)27-14-15-9-11-16(12-10-15)20(21,22)23/h9-12H,4-8,13-14H2,1-3H3
InChI Key
VPXNFOJKZZZSJN-UHFFFAOYSA-N
Formula
C20H27F3O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
388.42
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Physical Properties

Property Value Unit Source
ΔfusH° 44.36 kJ/mol Joback Calculated Property
logPoct/wat 5.288 Crippen Calculated Property
McVol 289.090 ml/mol McGowan Calculated Property
Inp 2036.00 NIST
Tboil 606.70 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 [429.40; 969.95] 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-1.47530e+01
Coefficient B1.94286e+00
Coefficient C-1.23196e-03
Coefficient D2.73800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 429.40 J/mol×K 273.00 Calculated Property
Cp,gas 530.52 J/mol×K 353.78 Calculated Property
Cp,gas 619.35 J/mol×K 434.56 Calculated Property
Cp,gas 696.77 J/mol×K 515.33 Calculated Property
Cp,gas 763.63 J/mol×K 596.11 Calculated Property
Cp,gas 820.80 J/mol×K 676.89 Calculated Property
Cp,gas 869.16 J/mol×K 757.67 Calculated Property
Cp,gas 909.56 J/mol×K 838.44 Calculated Property
Cp,gas 942.86 J/mol×K 919.22 Calculated Property
Cp,gas 969.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, 4-chlorobenzyl decyl ester. Diethylmalonic acid, 4-chlorobenzyl nonyl ester. Diethylmalonic acid, 4-chlorobenzyl tridecyl ester. Diethylmalonic acid, 4-chlorobenzyl undecyl ester. Diethylmalonic acid, 4-chlorobenzyl octyl ester. Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester. Diethylmalonic acid, 4-chlorobenzyl heptyl ester. Diethylmalonic acid, 4-chlorobenzyl hexyl ester.

Find more compounds similar to Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester.

Sources

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