Chemical Properties of Sebacic acid, 4-bromophenyl isobutyl ester

Sebacic acid, 4-bromophenyl isobutyl ester

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InChI
InChI=1S/C20H29BrO4/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3
InChI Key
FOJSGXBBOCGGKL-UHFFFAOYSA-N
Formula
C20H29BrO4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
413.35
Sources

Physical Properties

Property Value Unit Source
Δf -235.66 kJ/mol Joback Calculated Property
Δfgas -699.62 kJ/mol Joback Calculated Property
Δfus 48.54 kJ/mol Joback Calculated Property
Δvap 87.41 kJ/mol Joback Calculated Property
logPoct/wat 5.67 Crippen Calculated Property
Pc 1420.78 kPa Joback Calculated Property
Tboil 906.96 K Joback Calculated Property
Tc 1119.93 K Joback Calculated Property
Tfus 543.22 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 918.65 J/mol×K 906.96 Joback Calculated Property
η 0.00 Pa×s 906.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, 4-bromophenyl propyl ester. Sebacic acid, 4-bromophenyl butyl ester. Sebacic acid, 4-bromophenyl octyl ester. Sebacic acid, 4-bromophenyl pentyl ester. Sebacic acid, 4-bromophenyl decyl ester. Sebacic acid, 4-bromophenyl heptyl ester. Sebacic acid, 4-bromophenyl nonyl ester. Sebacic acid, 4-bromophenyl ethyl ester. Sebacic acid, 4-bromophenyl isohexyl ester. Glutaric acid, 4-bromophenyl isobutyl ester. Glutaric acid, 4-bromophenyl tetradecyl ester. Glutaric acid, 4-bromophenyl heptyl ester. Glutaric acid, 4-bromophenyl tridecyl ester. Glutaric acid, 4-bromophenyl nonyl ester. Glutaric acid, 4-bromophenyl pentadecyl ester.

Find more compounds similar to Sebacic acid, 4-bromophenyl isobutyl ester.

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