Chemical Properties of Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester

Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester

InChI
InChI=1S/C31H49F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-37-29(35)31(5-2,6-3)30(36)38-24-25-22-27(33)28(34)23-26(25)32/h22-23H,4-21,24H2,1-3H3
InChI Key
FKRCPQUFMSSHME-UHFFFAOYSA-N
Formula
C31H49F3O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
542.71
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Physical Properties

Property Value Unit Source
ΔfusH° 79.48 kJ/mol Joback Calculated Property
logPoct/wat 9.368 Crippen Calculated Property
McVol 444.080 ml/mol McGowan Calculated Property
Inp [3115.00; 3115.00]   Show Hide
Inp 3115.00 NIST
Inp 3115.00 NIST
Tboil 689.47 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 [1560.82; 1645.06] J/mol×K [1061.52; 1326.50] Show Hide
Cp,gas 1560.82 J/mol×K 1061.52 Joback Calculated Property
Cp,gas 1580.09 J/mol×K 1105.68 Joback Calculated Property
Cp,gas 1597.07 J/mol×K 1149.85 Joback Calculated Property
Cp,gas 1611.91 J/mol×K 1194.01 Joback Calculated Property
Cp,gas 1624.76 J/mol×K 1238.17 Joback Calculated Property
Cp,gas 1635.76 J/mol×K 1282.33 Joback Calculated Property
Cp,gas 1645.06 J/mol×K 1326.50 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester.

Find more compounds similar to Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester.

Sources

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