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

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

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InChI
InChI=1S/C26H39F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-32-24(30)26(5-2,6-3)25(31)33-19-20-17-22(28)23(29)18-21(20)27/h17-18H,4-16,19H2,1-3H3
InChI Key
XEDXKUQVDVZTDW-UHFFFAOYSA-N
Formula
C26H39F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
472.58
Sources

Physical Properties

Property Value Unit Source
Δf -797.87 kJ/mol Joback Calculated Property
Δfgas -1464.53 kJ/mol Joback Calculated Property
Δfus 63.37 kJ/mol Joback Calculated Property
Δvap 92.30 kJ/mol Joback Calculated Property
logPoct/wat 7.42 Crippen Calculated Property
Pc 839.19 kPa Joback Calculated Property
Tboil 983.06 K Joback Calculated Property
Tc 1206.89 K Joback Calculated Property
Tfus 595.27 K Joback Calculated Property
Vc 1.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1262.80 J/mol×K 983.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 14
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 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, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl undecyl ester. Diethylmalonic acid, decyl pentafluorobenzyl ester. Diethylmalonic acid, heptadecyl pentafluorobenzyl ester. Diethylmalonic acid, hexadecyl pentafluorobenzyl ester.

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

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