Chemical Properties of Diethylmalonic acid, 3-bromobenzyl nonyl ester

Diethylmalonic acid, 3-bromobenzyl nonyl ester

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InChI
InChI=1S/C23H35BrO4/c1-4-7-8-9-10-11-12-16-27-21(25)23(5-2,6-3)22(26)28-18-19-14-13-15-20(24)17-19/h13-15,17H,4-12,16,18H2,1-3H3
InChI Key
SLMPIBBEDMOBRA-UHFFFAOYSA-N
Formula
C23H35BrO4
SMILES
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Br)c1
Molecular Weight1
455.43
Sources

Physical Properties

Property Value Unit Source
Δf -205.12 kJ/mol Joback Calculated Property
Δfgas -765.01 kJ/mol Joback Calculated Property
Δfus 52.42 kJ/mol Joback Calculated Property
Δvap 93.18 kJ/mol Joback Calculated Property
logPoct/wat 6.59 Crippen Calculated Property
Pc 1164.84 kPa Joback Calculated Property
Tboil 972.81 K Joback Calculated Property
Tc 1193.48 K Joback Calculated Property
Tfus 594.45 K Joback Calculated Property
Vc 1.31 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1098.56 J/mol×K 972.81 Joback Calculated Property
η 0.00 Pa×s 972.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
>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 octyl 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 nonyl ester.

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