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

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

InChI
InChI=1S/C26H39F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-32-24(30)26(5-2,6-3)25(31)33-19-20-17-22(28)23(29)18-21(20)27/h17-18H,4-16,19H2,1-3H3
InChI Key
XEDXKUQVDVZTDW-UHFFFAOYSA-N
Formula
C26H39F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
472.58
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Physical Properties

Property Value Unit Source
ΔfusH° 66.53 kJ/mol Joback Calculated Property
logPoct/wat 7.418 Crippen Calculated Property
McVol 373.630 ml/mol McGowan Calculated Property
Inp 2674.00 NIST
Tboil 654.43 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 [563.25; 1271.94] 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 A3.28640e+01
Coefficient B2.26806e+00
Coefficient C-1.25248e-03
Coefficient D2.23500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 563.25 J/mol×K 273.00 Calculated Property
Cp,gas 688.39 J/mol×K 353.78 Calculated Property
Cp,gas 800.29 J/mol×K 434.56 Calculated Property
Cp,gas 899.64 J/mol×K 515.33 Calculated Property
Cp,gas 987.16 J/mol×K 596.11 Calculated Property
Cp,gas 1063.54 J/mol×K 676.89 Calculated Property
Cp,gas 1129.51 J/mol×K 757.67 Calculated Property
Cp,gas 1185.76 J/mol×K 838.44 Calculated Property
Cp,gas 1233.00 J/mol×K 919.22 Calculated Property
Cp,gas 1271.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

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, 2,4,5-trifluorobenzyl undecyl 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, dodecyl 2,4,5-trifluorobenzyl ester.

Sources

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