Chemical Properties of Sebacic acid, isohexyl tridec-2-ynyl ester

Sebacic acid, isohexyl tridec-2-ynyl ester

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InChI
InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-14-17-20-25-32-28(30)23-18-15-12-13-16-19-24-29(31)33-26-21-22-27(2)3/h27H,4-16,18-19,21-26H2,1-3H3
InChI Key
HGQYNLJOITYDHI-UHFFFAOYSA-N
Formula
C29H52O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(=O)OCCCC(C)C
Molecular Weight1
464.72
Sources

Physical Properties

Property Value Unit Source
Δf -74.18 kJ/mol Joback Calculated Property
Δfgas -864.47 kJ/mol Joback Calculated Property
Δfus 76.04 kJ/mol Joback Calculated Property
Δvap 100.22 kJ/mol Joback Calculated Property
logPoct/wat 8.16 Crippen Calculated Property
Pc 714.15 kPa Joback Calculated Property
Tboil 1024.06 K Joback Calculated Property
Tc 1265.38 K Joback Calculated Property
Tfus 652.01 K Joback Calculated Property
Vc 1.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1483.40 J/mol×K 1024.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
#C- 2
-CH2- 21
>C=O (nonring) 2

Similar Compounds

Sebacic acid, heptyl tridec-2-ynyl ester. Sebacic acid, octyl tridec-2-ynyl ester. Sebacic acid, pentyl tridec-2-ynyl ester. Sebacic acid, hexyl tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester. Sebacic acid, propyl tridec-2-ynyl ester. Sebacic acid, ethyl tridec-2-ynyl ester. Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Octanoic acid, tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Sebacic acid, isobutyl tridec-2-ynyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Glutaric acid, nonyl tridec-2-ynyl ester. Glutaric acid, heptyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl dodecyl ester.

Find more compounds similar to Sebacic acid, isohexyl tridec-2-ynyl ester.

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