Chemical Properties of Diethylmalonic acid, ethyl 3,4,5-trifluorobenzyl ester

Diethylmalonic acid, ethyl 3,4,5-trifluorobenzyl ester

InChI
InChI=1S/C16H19F3O4/c1-4-16(5-2,14(20)22-6-3)15(21)23-9-10-7-11(17)13(19)12(18)8-10/h7-8H,4-6,9H2,1-3H3
InChI Key
QXLMXISDEWZNRB-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)c(F)c1
Molecular Weight1
332.31
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Physical Properties

Property Value Unit Source
ΔfusH° 40.63 kJ/mol Joback Calculated Property
logPoct/wat 3.517 Crippen Calculated Property
McVol 232.730 ml/mol McGowan Calculated Property
Inp [1761.00; 1761.00]   Show Hide
Inp 1761.00 NIST
Inp 1761.00 NIST
Tboil 557.64 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [661.91; 732.29] J/mol×K [718.32; 906.01] Show Hide
Cp,gas 661.91 J/mol×K 718.32 Joback Calculated Property
Cp,gas 675.89 J/mol×K 749.60 Joback Calculated Property
Cp,gas 688.95 J/mol×K 780.88 Joback Calculated Property
Cp,gas 701.10 J/mol×K 812.16 Joback Calculated Property
Cp,gas 712.36 J/mol×K 843.44 Joback Calculated Property
Cp,gas 722.75 J/mol×K 874.72 Joback Calculated Property
Cp,gas 732.29 J/mol×K 906.01 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, di(3,4,5-trifluorobenzyl) ester. Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester. Diethylmalonic acid, butyl 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, di(3,4-difluorobenzyl) ester. Diethylmalonic acid, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl decyl ester.

Find more compounds similar to Diethylmalonic acid, ethyl 3,4,5-trifluorobenzyl ester.

Sources

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