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

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

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InChI
InChI=1S/C18H23F3O4/c1-4-7-8-24-16(22)18(5-2,6-3)17(23)25-11-12-9-14(20)15(21)10-13(12)19/h9-10H,4-8,11H2,1-3H3
InChI Key
DCIYJWDFSYOJAR-UHFFFAOYSA-N
Formula
C18H23F3O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
360.37
Sources

Physical Properties

Property Value Unit Source
Δf -865.23 kJ/mol Joback Calculated Property
Δfgas -1299.41 kJ/mol Joback Calculated Property
Δfus 42.65 kJ/mol Joback Calculated Property
Δvap 74.49 kJ/mol Joback Calculated Property
logPoct/wat 4.30 Crippen Calculated Property
Pc 1388.15 kPa Joback Calculated Property
Tboil 800.02 K Joback Calculated Property
Tc 992.49 K Joback Calculated Property
Tfus 505.11 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 783.91 J/mol×K 800.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 6
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl pentafluorobenzyl ester. Diethylmalonic acid, isobutyl pentafluorobenzyl ester. Diethylmalonic acid, di(2,4,5-trifluorobenzyl) ester. Diethylmalonic acid, decyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl undecyl ester.

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

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