Chemical Properties of Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester

Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester

InChI
InChI=1S/C26H40F2O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-24(29)26(5-2,6-3)25(30)32-20-21-16-17-22(27)23(28)19-21/h16-17,19H,4-15,18,20H2,1-3H3
InChI Key
WXPAJBBHOZKPHJ-UHFFFAOYSA-N
Formula
C26H40F2O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
454.59
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Physical Properties

Property Value Unit Source
ΔfusH° 63.84 kJ/mol Joback Calculated Property
log10WS -7.30 Relay (1.0) Calculated Property
logPoct/wat 7.279 Crippen Calculated Property
McVol 371.860 ml/mol McGowan Calculated Property
Inp [2746.00; 2746.00]   Show Hide
Inp 2746.00 NIST
Inp 2746.00 NIST
Tboil 656.92 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 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 [552.50; 1267.91] 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 A1.24740e+01
Coefficient B2.31576e+00
Coefficient C-1.30312e-03
Coefficient D2.42800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 552.50 J/mol×K 273.00 Calculated Property
Cp,gas 679.39 J/mol×K 353.78 Calculated Property
Cp,gas 792.65 J/mol×K 434.56 Calculated Property
Cp,gas 893.02 J/mol×K 515.33 Calculated Property
Cp,gas 981.29 J/mol×K 596.11 Calculated Property
Cp,gas 1058.23 J/mol×K 676.89 Calculated Property
Cp,gas 1124.59 J/mol×K 757.67 Calculated Property
Cp,gas 1181.14 J/mol×K 838.44 Calculated Property
Cp,gas 1228.66 J/mol×K 919.22 Calculated Property
Cp,gas 1267.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, butyl 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester.

Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester.

Sources

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