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

Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester

InChI
InChI=1S/C27H42F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-32-25(30)27(5-2,6-3)26(31)33-21-22-17-18-23(28)24(29)20-22/h17-18,20H,4-16,19,21H2,1-3H3
InChI Key
ZTTPVNVAIXKJDD-UHFFFAOYSA-N
Formula
C27H42F2O4
SMILES
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
468.62
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Physical Properties

Property Value Unit Source
ΔfusH° 66.43 kJ/mol Joback Calculated Property
log10WS -7.57 Relay (1.0) Calculated Property
logPoct/wat 7.669 Crippen Calculated Property
McVol 385.950 ml/mol McGowan Calculated Property
Inp [2848.00; 2848.00]   Show Hide
Inp 2848.00 NIST
Inp 2848.00 NIST
Tboil 663.98 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 [573.71; 1319.50] 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 A1.15650e+01
Coefficient B2.41076e+00
Coefficient C-1.35752e-03
Coefficient D2.54700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 573.71 J/mol×K 273.00 Calculated Property
Cp,gas 705.81 J/mol×K 353.78 Calculated Property
Cp,gas 823.72 J/mol×K 434.56 Calculated Property
Cp,gas 928.25 J/mol×K 515.33 Calculated Property
Cp,gas 1020.21 J/mol×K 596.11 Calculated Property
Cp,gas 1100.39 J/mol×K 676.89 Calculated Property
Cp,gas 1169.60 J/mol×K 757.67 Calculated Property
Cp,gas 1228.66 J/mol×K 838.44 Calculated Property
Cp,gas 1278.36 J/mol×K 919.22 Calculated Property
Cp,gas 1319.50 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 dodecyl 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 tridecyl ester.

Sources

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