Chemical Properties of Diethylmalonic acid, 4-bromobenzyl isobutyl ester

Diethylmalonic acid, 4-bromobenzyl isobutyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C18H25BrO4/c1-5-18(6-2,16(20)22-11-13(3)4)17(21)23-12-14-7-9-15(19)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3
InChI Key
ACGXGDSSMKVNNQ-UHFFFAOYSA-N
Formula
C18H25BrO4
SMILES
CCC(CC)(C(=O)OCc1ccc(Br)cc1)C(=O)OCC(C)C
Molecular Weight1
385.29
Sources

Physical Properties

Property Value Unit Source
Δf -249.66 kJ/mol Joback Calculated Property
Δfgas -667.09 kJ/mol Joback Calculated Property
Δfus 35.95 kJ/mol Joback Calculated Property
Δvap 81.66 kJ/mol Joback Calculated Property
logPoct/wat 4.50 Crippen Calculated Property
Pc 1676.91 kPa Joback Calculated Property
Tboil 857.97 K Joback Calculated Property
Tc 1077.41 K Joback Calculated Property
Tfus 523.10 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 802.91 J/mol×K 857.97 Joback Calculated Property
η 0.00 Pa×s 857.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.