Chemical Properties of Diethylmalonic acid, 4-bromobenzyl heptyl ester

Diethylmalonic acid, 4-bromobenzyl heptyl ester

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InChI
InChI=1S/C21H31BrO4/c1-4-7-8-9-10-15-25-19(23)21(5-2,6-3)20(24)26-16-17-11-13-18(22)14-12-17/h11-14H,4-10,15-16H2,1-3H3
InChI Key
KEUQDSIGZMYNFA-UHFFFAOYSA-N
Formula
C21H31BrO4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Br)cc1
Molecular Weight1
427.37
Sources

Physical Properties

Property Value Unit Source
Δf -221.96 kJ/mol Joback Calculated Property
Δfgas -723.73 kJ/mol Joback Calculated Property
Δfus 47.24 kJ/mol Joback Calculated Property
Δvap 88.73 kJ/mol Joback Calculated Property
logPoct/wat 5.81 Crippen Calculated Property
Pc 1333.93 kPa Joback Calculated Property
Tboil 927.05 K Joback Calculated Property
Tc 1143.73 K Joback Calculated Property
Tfus 571.91 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 978.07 J/mol×K 927.05 Joback Calculated Property
η 0.00 Pa×s 927.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
>C< 1
-CH3 3
-Br 1

Similar Compounds

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

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

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