Chemical Properties of Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester

Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester

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InChI
InChI=1S/C23H22F6O4/c1-3-21(4-2,19(30)32-13-15-5-9-17(10-6-15)22(24,25)26)20(31)33-14-16-7-11-18(12-8-16)23(27,28)29/h5-12H,3-4,13-14H2,1-2H3
InChI Key
MCWGFITXDWIRIW-UHFFFAOYSA-N
Formula
C23H22F6O4
SMILES
CCC(CC)(C(=O)OCc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
476.41
Sources

Physical Properties

Property Value Unit Source
Δf -1279.84 kJ/mol Joback Calculated Property
Δfgas -1760.44 kJ/mol Joback Calculated Property
Δfus 44.44 kJ/mol Joback Calculated Property
Δvap 82.19 kJ/mol Joback Calculated Property
logPoct/wat 6.32 Crippen Calculated Property
Pc 1176.85 kPa Joback Calculated Property
Tboil 927.47 K Joback Calculated Property
Tc 1140.44 K Joback Calculated Property
Tfus 581.97 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 999.90 J/mol×K 927.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 2
=CH- (ring) 8
=C< (ring) 4
-CH2- 4
-F 6
>C< 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, ethyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, di(3-methylbenzyl) ester. Diethylmalonic acid, di(3-chlorobenzyl) ester. Diethylmalonic acid, 4-chlorobenzyl ethyl ester. Diethylmalonic acid, ethyl 3-methylbenzyl ester. Diethylmalonic acid, 4-chlorobenzyl propyl ester. Diethylmalonic acid, butyl 4-chlorobenzyl ester. Diethylmalonic acid, 3-methylbenzyl propyl ester. Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 3-methylbenzyl ester.

Find more compounds similar to Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester.

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