Chemical Properties of Sebacic acid, 4-iodobenzyl propyl ester

Sebacic acid, 4-iodobenzyl propyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C20H29IO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3
InChI Key
XJBNKSRNLFWHCD-UHFFFAOYSA-N
Formula
C20H29IO4
SMILES
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(I)cc1
Molecular Weight1
460.35
Sources

Physical Properties

Property Value Unit Source
Δf -189.42 kJ/mol Joback Calculated Property
Δfgas -643.80 kJ/mol Joback Calculated Property
Δfus 51.19 kJ/mol Joback Calculated Property
Δvap 90.74 kJ/mol Joback Calculated Property
logPoct/wat 5.41 Crippen Calculated Property
Pc 1320.39 kPa Joback Calculated Property
Tboil 934.38 K Joback Calculated Property
Tc 1153.60 K Joback Calculated Property
Tfus 556.48 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 929.57 J/mol×K 934.38 Joback Calculated Property
η 0.00 Pa×s 934.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 1
=CH- (ring) 4
-I 1
=C< (ring) 2
-CH2- 11
>C=O (nonring) 2

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.