Chemical Properties of Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester

Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester

InChI
InChI=1S/C25H37F3O4/c1-4-7-8-9-10-11-12-13-14-15-31-23(29)25(5-2,6-3)24(30)32-18-19-16-21(27)22(28)17-20(19)26/h16-17H,4-15,18H2,1-3H3
InChI Key
BQBDRCXRXZDMOJ-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
458.55
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Physical Properties

Property Value Unit Source
ΔfusH° 63.94 kJ/mol Joback Calculated Property
logPoct/wat 7.028 Crippen Calculated Property
McVol 359.540 ml/mol McGowan Calculated Property
Inp 2573.00 NIST
Tboil 646.88 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 [542.03; 1220.35] 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 A3.37730e+01
Coefficient B2.17306e+00
Coefficient C-1.19808e-03
Coefficient D2.11600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 542.03 J/mol×K 273.00 Calculated Property
Cp,gas 661.97 J/mol×K 353.78 Calculated Property
Cp,gas 769.21 J/mol×K 434.56 Calculated Property
Cp,gas 864.41 J/mol×K 515.33 Calculated Property
Cp,gas 948.24 J/mol×K 596.11 Calculated Property
Cp,gas 1021.38 J/mol×K 676.89 Calculated Property
Cp,gas 1084.49 J/mol×K 757.67 Calculated Property
Cp,gas 1138.25 J/mol×K 838.44 Calculated Property
Cp,gas 1183.31 J/mol×K 919.22 Calculated Property
Cp,gas 1220.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester.

Find more compounds similar to Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester.

Sources

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