Chemical Properties of Sebacic acid, 4-iodobenzyl pentyl ester

Sebacic acid, 4-iodobenzyl pentyl ester

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InChI
InChI=1S/C22H33IO4/c1-2-3-10-17-26-21(24)11-8-6-4-5-7-9-12-22(25)27-18-19-13-15-20(23)16-14-19/h13-16H,2-12,17-18H2,1H3
InChI Key
KHTPAWGPSCMQMQ-UHFFFAOYSA-N
Formula
C22H33IO4
SMILES
CCCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(I)cc1
Molecular Weight1
488.40
Sources

Physical Properties

Property Value Unit Source
Δf -172.58 kJ/mol Joback Calculated Property
Δfgas -685.08 kJ/mol Joback Calculated Property
Δfus 56.37 kJ/mol Joback Calculated Property
Δvap 95.19 kJ/mol Joback Calculated Property
logPoct/wat 6.19 Crippen Calculated Property
Pc 1153.78 kPa Joback Calculated Property
Tboil 980.14 K Joback Calculated Property
Tc 1202.94 K Joback Calculated Property
Tfus 579.02 K Joback Calculated Property
Vc 1.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1049.16 J/mol×K 980.14 Joback Calculated Property
η 0.00 Pa×s 980.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
-I 1
=C< (ring) 2
-CH2- 13
-CH3 1

Similar Compounds

Sebacic acid, 4-iodobenzyl nonyl ester. Sebacic acid, hexyl 4-iodobenzyl ester. Sebacic acid, 4-iodobenzyl octyl ester. Sebacic acid, heptyl 4-iodobenzyl ester. Sebacic acid, butyl 4-iodobenzyl ester. Sebacic acid, 4-iodobenzyl propyl ester. Sebacic acid, ethyl 4-iodobenzyl ester. Sebacic acid, 4-iodobenzyl isobutyl ester. Sebacic acid, heptyl 3-iodobenzyl ester. Sebacic acid, hexyl 3-iodobenzyl ester. Sebacic acid, 3-iodobenzyl octyl ester. Sebacic acid, 3-iodobenzyl pentyl ester. Sebacic acid, butyl 3-iodobenzyl ester. Succinic acid, butyl 4-iodobenzyl ester. Sebacic acid, 3-iodobenzyl propyl ester.

Find more compounds similar to Sebacic acid, 4-iodobenzyl pentyl ester.

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