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

Diethylmalonic acid, 3,4-difluorobenzyl decyl ester

InChI
InChI=1S/C24H36F2O4/c1-4-7-8-9-10-11-12-13-16-29-22(27)24(5-2,6-3)23(28)30-18-19-14-15-20(25)21(26)17-19/h14-15,17H,4-13,16,18H2,1-3H3
InChI Key
DBOKVGLVQBSDOR-UHFFFAOYSA-N
Formula
C24H36F2O4
SMILES
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
426.54
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Physical Properties

Property Value Unit Source
ΔfusH° 58.66 kJ/mol Joback Calculated Property
log10WS -6.75 Relay (1.0) Calculated Property
logPoct/wat 6.498 Crippen Calculated Property
McVol 343.680 ml/mol McGowan Calculated Property
Inp [2544.00; 2544.00]   Show Hide
Inp 2544.00 NIST
Inp 2544.00 NIST
Tboil 642.38 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 [510.07; 1164.73] 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 A1.42920e+01
Coefficient B2.12576e+00
Coefficient C-1.19432e-03
Coefficient D2.19000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 510.07 J/mol×K 273.00 Calculated Property
Cp,gas 626.56 J/mol×K 353.78 Calculated Property
Cp,gas 730.49 J/mol×K 434.56 Calculated Property
Cp,gas 822.56 J/mol×K 515.33 Calculated Property
Cp,gas 903.47 J/mol×K 596.11 Calculated Property
Cp,gas 973.90 J/mol×K 676.89 Calculated Property
Cp,gas 1034.55 J/mol×K 757.67 Calculated Property
Cp,gas 1086.11 J/mol×K 838.44 Calculated Property
Cp,gas 1129.27 J/mol×K 919.22 Calculated Property
Cp,gas 1164.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl 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 decyl ester.

Sources

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