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

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

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InChI
InChI=1S/C25H37F3O4/c1-4-7-8-9-10-11-12-13-14-15-31-23(29)25(5-2,6-3)24(30)32-18-19-16-21(27)22(28)17-20(19)26/h16-17H,4-15,18H2,1-3H3
InChI Key
BQBDRCXRXZDMOJ-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
458.55
Sources

Physical Properties

Property Value Unit Source
Δf -806.29 kJ/mol Joback Calculated Property
Δfgas -1443.89 kJ/mol Joback Calculated Property
Δfus 60.78 kJ/mol Joback Calculated Property
Δvap 90.07 kJ/mol Joback Calculated Property
logPoct/wat 7.03 Crippen Calculated Property
Pc 887.88 kPa Joback Calculated Property
Tboil 960.18 K Joback Calculated Property
Tc 1176.72 K Joback Calculated Property
Tfus 584.00 K Joback Calculated Property
Vc 1.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1200.84 J/mol×K 960.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 13
>C< 1
>C=O (nonring) 2
-CH3 3

Similar Compounds

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

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