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

Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester

InChI
InChI=1S/C21H30F2O4/c1-4-7-8-9-10-13-26-19(24)21(5-2,6-3)20(25)27-15-16-11-12-17(22)18(23)14-16/h11-12,14H,4-10,13,15H2,1-3H3
InChI Key
GPTXZZDAXLEGSA-UHFFFAOYSA-N
Formula
C21H30F2O4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
384.46
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Physical Properties

Property Value Unit Source
ΔfusH° 50.89 kJ/mol Joback Calculated Property
log10WS -5.88 Relay (1.0) Calculated Property
logPoct/wat 5.328 Crippen Calculated Property
McVol 301.410 ml/mol McGowan Calculated Property
Inp [2251.00; 2251.00]   Show Hide
Inp 2251.00 NIST
Inp 2251.00 NIST
Tboil 619.35 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 [446.43; 1009.96] 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 A1.70190e+01
Coefficient B1.84076e+00
Coefficient C-1.03112e-03
Coefficient D1.83300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 446.43 J/mol×K 273.00 Calculated Property
Cp,gas 547.30 J/mol×K 353.78 Calculated Property
Cp,gas 637.26 J/mol×K 434.56 Calculated Property
Cp,gas 716.88 J/mol×K 515.33 Calculated Property
Cp,gas 786.74 J/mol×K 596.11 Calculated Property
Cp,gas 847.42 J/mol×K 676.89 Calculated Property
Cp,gas 899.50 J/mol×K 757.67 Calculated Property
Cp,gas 943.57 J/mol×K 838.44 Calculated Property
Cp,gas 980.19 J/mol×K 919.22 Calculated Property
Cp,gas 1009.96 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 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 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 heptyl ester.

Sources

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