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

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

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InChI
InChI=1S/C16H19F3O4/c1-4-16(5-2,14(20)22-6-3)15(21)23-9-10-7-12(18)13(19)8-11(10)17/h7-8H,4-6,9H2,1-3H3
InChI Key
DNDHEBIHPLLWOT-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
332.31
Sources

Physical Properties

Property Value Unit Source
Δf -882.07 kJ/mol Joback Calculated Property
Δfgas -1258.13 kJ/mol Joback Calculated Property
Δfus 37.47 kJ/mol Joback Calculated Property
Δvap 70.04 kJ/mol Joback Calculated Property
logPoct/wat 3.52 Crippen Calculated Property
Pc 1610.29 kPa Joback Calculated Property
Tboil 754.26 K Joback Calculated Property
Tc 946.60 K Joback Calculated Property
Tfus 482.57 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 672.04 J/mol×K 754.26 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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