Chemical Properties of Diethylmalonic acid, 3-bromobenzyl octyl ester

Diethylmalonic acid, 3-bromobenzyl octyl ester

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InChI
InChI=1S/C22H33BrO4/c1-4-7-8-9-10-11-15-26-20(24)22(5-2,6-3)21(25)27-17-18-13-12-14-19(23)16-18/h12-14,16H,4-11,15,17H2,1-3H3
InChI Key
CBVGJPKZAYYBCG-UHFFFAOYSA-N
Formula
C22H33BrO4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Br)c1
Molecular Weight1
441.40
Sources

Physical Properties

Property Value Unit Source
Δf -213.54 kJ/mol Joback Calculated Property
Δfgas -744.37 kJ/mol Joback Calculated Property
Δfus 49.83 kJ/mol Joback Calculated Property
Δvap 90.95 kJ/mol Joback Calculated Property
logPoct/wat 6.20 Crippen Calculated Property
Pc 1245.09 kPa Joback Calculated Property
Tboil 949.93 K Joback Calculated Property
Tc 1168.16 K Joback Calculated Property
Tfus 583.18 K Joback Calculated Property
Vc 1.26 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1038.02 J/mol×K 949.93 Joback Calculated Property
η 0.00 Pa×s 949.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C< 1
>C=O (nonring) 2
-Br 1

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, 3-bromobenzyl octyl ester.

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