Chemical Properties of Diethylmalonic acid, 4-bromobenzyl hexyl ester

Diethylmalonic acid, 4-bromobenzyl hexyl ester

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InChI
InChI=1S/C20H29BrO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-15-16-10-12-17(21)13-11-16/h10-13H,4-9,14-15H2,1-3H3
InChI Key
YEUWIWNUJWWCSS-UHFFFAOYSA-N
Formula
C20H29BrO4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Br)cc1
Molecular Weight1
413.35
Sources

Physical Properties

Property Value Unit Source
Δf -230.38 kJ/mol Joback Calculated Property
Δfgas -703.09 kJ/mol Joback Calculated Property
Δfus 44.65 kJ/mol Joback Calculated Property
Δvap 86.50 kJ/mol Joback Calculated Property
logPoct/wat 5.42 Crippen Calculated Property
Pc 1432.63 kPa Joback Calculated Property
Tboil 904.17 K Joback Calculated Property
Tc 1120.13 K Joback Calculated Property
Tfus 560.64 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 918.78 J/mol×K 904.17 Joback Calculated Property
η 0.00 Pa×s 904.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>C< 1
-CH3 3
-Br 1

Similar Compounds

Diethylmalonic acid, 4-bromobenzyl heptyl ester. Diethylmalonic acid, 4-bromobenzyl pentyl ester. Diethylmalonic acid, 4-bromobenzyl butyl ester. Diethylmalonic acid, 4-bromobenzyl isobutyl ester. Diethylmalonic acid, 3-bromobenzyl hexyl ester. Diethylmalonic acid, 3-bromobenzyl tetradecyl ester. Diethylmalonic acid, 3-bromobenzyl heptadecyl ester. Diethylmalonic acid, 3-bromobenzyl decyl ester. Diethylmalonic acid, 3-bromobenzyl octyl ester. Diethylmalonic acid, 3-bromobenzyl dodecyl ester. Diethylmalonic acid, 3-bromobenzyl tridecyl ester. Diethylmalonic acid, 3-bromobenzyl heptyl ester. Diethylmalonic acid, 3-bromobenzyl octadecyl ester. Diethylmalonic acid, 3-bromobenzyl nonyl ester. Diethylmalonic acid, 3-bromobenzyl hexadecyl ester.

Find more compounds similar to Diethylmalonic acid, 4-bromobenzyl hexyl ester.

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