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

Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester

InChI
InChI=1S/C16H20F2O4/c1-4-16(5-2,14(19)21-6-3)15(20)22-10-11-7-8-12(17)13(18)9-11/h7-9H,4-6,10H2,1-3H3
InChI Key
HIBNRAXLMZAGIG-UHFFFAOYSA-N
Formula
C16H20F2O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
314.32
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Physical Properties

Property Value Unit Source
ΔfusH° 37.94 kJ/mol Joback Calculated Property
logPoct/wat 3.377 Crippen Calculated Property
McVol 230.960 ml/mol McGowan Calculated Property
Inp [1796.00; 1796.00]   Show Hide
Inp 1796.00 NIST
Inp 1796.00 NIST
Tboil 569.98 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, 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 [340.36; 752.00] 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 A2.15640e+01
Coefficient B1.36576e+00
Coefficient C-7.59120e-04
Coefficient D1.23800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.36 J/mol×K 273.00 Calculated Property
Cp,gas 415.21 J/mol×K 353.78 Calculated Property
Cp,gas 481.87 J/mol×K 434.56 Calculated Property
Cp,gas 540.73 J/mol×K 515.33 Calculated Property
Cp,gas 592.18 J/mol×K 596.11 Calculated Property
Cp,gas 636.61 J/mol×K 676.89 Calculated Property
Cp,gas 674.42 J/mol×K 757.67 Calculated Property
Cp,gas 705.99 J/mol×K 838.44 Calculated Property
Cp,gas 731.72 J/mol×K 919.22 Calculated Property
Cp,gas 752.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, di(3,4-difluorobenzyl) ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, ethyl 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester.

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

Sources

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