Chemical Properties of Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester

Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester

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InChI
InChI=1S/C19H25F3O4/c1-5-18(6-2,16(23)25-11-13(3)4)17(24)26-12-14-7-9-15(10-8-14)19(20,21)22/h7-10,13H,5-6,11-12H2,1-4H3
InChI Key
AUTUXSPXKHAABW-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCC(CC)(C(=O)OCc1ccc(C(F)(F)F)cc1)C(=O)OCC(C)C
Molecular Weight1
374.39
Sources

Physical Properties

Property Value Unit Source
Δf -837.15 kJ/mol Joback Calculated Property
Δfgas -1311.14 kJ/mol Joback Calculated Property
Δfus 35.08 kJ/mol Joback Calculated Property
Δvap 73.71 kJ/mol Joback Calculated Property
logPoct/wat 4.75 Crippen Calculated Property
Pc 1348.67 kPa Joback Calculated Property
Tboil 809.27 K Joback Calculated Property
Tc 1007.49 K Joback Calculated Property
Tfus 478.76 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 844.74 J/mol×K 809.27 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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