Chemical Properties of Diethylmalonic acid, 4-bromobenzyl butyl ester

Diethylmalonic acid, 4-bromobenzyl butyl ester

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InChI
InChI=1S/C18H25BrO4/c1-4-7-12-22-16(20)18(5-2,6-3)17(21)23-13-14-8-10-15(19)11-9-14/h8-11H,4-7,12-13H2,1-3H3
InChI Key
VVXRLMPCRTWVTH-UHFFFAOYSA-N
Formula
C18H25BrO4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Br)cc1
Molecular Weight1
385.29
Sources

Physical Properties

Property Value Unit Source
Δf -247.22 kJ/mol Joback Calculated Property
Δfgas -661.81 kJ/mol Joback Calculated Property
Δfus 39.47 kJ/mol Joback Calculated Property
Δvap 82.05 kJ/mol Joback Calculated Property
logPoct/wat 4.64 Crippen Calculated Property
Pc 1665.97 kPa Joback Calculated Property
Tboil 858.41 K Joback Calculated Property
Tc 1075.21 K Joback Calculated Property
Tfus 538.10 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 802.37 J/mol×K 858.41 Joback Calculated Property
η 0.00 Pa×s 858.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>C< 1
>C=O (nonring) 2
-Br 1

Similar Compounds

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

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

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