Chemical Properties of Diethylmalonic acid, dipentafluorobenzyl ester

Diethylmalonic acid, dipentafluorobenzyl ester

InChI
InChI=1S/C21H14F10O4/c1-3-21(4-2,19(32)34-5-7-9(22)13(26)17(30)14(27)10(7)23)20(33)35-6-8-11(24)15(28)18(31)16(29)12(8)25/h3-6H2,1-2H3
InChI Key
AXWJURRSJIOQFZ-UHFFFAOYSA-N
Formula
C21H14F10O4
SMILES
CCC(CC)(C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
520.32
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Physical Properties

Property Value Unit Source
ΔfusH° 66.46 kJ/mol Joback Calculated Property
logPoct/wat 5.671 Crippen Calculated Property
McVol 291.810 ml/mol McGowan Calculated Property
Inp [2026.00; 2026.00]   Show Hide
Inp 2026.00 NIST
Inp 2026.00 NIST
Tboil 621.57 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 [475.17; 923.67] 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 A1.46234e+02
Coefficient B1.38024e+00
Coefficient C-6.57200e-04
Coefficient D5.44000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 475.17 J/mol×K 273.00 Calculated Property
Cp,gas 554.69 J/mol×K 353.78 Calculated Property
Cp,gas 626.38 J/mol×K 434.56 Calculated Property
Cp,gas 690.43 J/mol×K 515.33 Calculated Property
Cp,gas 747.00 J/mol×K 596.11 Calculated Property
Cp,gas 796.26 J/mol×K 676.89 Calculated Property
Cp,gas 838.39 J/mol×K 757.67 Calculated Property
Cp,gas 873.55 J/mol×K 838.44 Calculated Property
Cp,gas 901.92 J/mol×K 919.22 Calculated Property
Cp,gas 923.67 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, ethyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl propyl ester. Diethylmalonic acid, isobutyl pentafluorobenzyl ester. Diethylmalonic acid, monochloride, pentafluorobenzyl ester. Diethylmalonic acid, butyl pentafluorobenzyl ester. Diethylmalonic acid, di(2,4,5-trifluorobenzyl) ester. Diethylmalonic acid, pentafluorobenzyl pentyl ester. Diethylmalonic acid, hexyl pentafluorobenzyl ester. Diethylmalonic acid, eicosyl pentafluorobenzyl ester. Diethylmalonic acid, dodecyl pentafluorobenzyl ester. Diethylmalonic acid, decyl pentafluorobenzyl ester. Diethylmalonic acid, nonyl pentafluorobenzyl ester. Diethylmalonic acid, heptyl pentafluorobenzyl ester. Diethylmalonic acid, hexadecyl pentafluorobenzyl ester. Diethylmalonic acid, pentadecyl pentafluorobenzyl ester.

Find more compounds similar to Diethylmalonic acid, dipentafluorobenzyl ester.

Sources

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