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

Sebacic acid, octyl tridec-2-ynyl ester

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InChI
InChI=1S/C31H56O4/c1-3-5-7-9-11-12-13-14-17-21-25-29-35-31(33)27-23-19-16-15-18-22-26-30(32)34-28-24-20-10-8-6-4-2/h3-20,22-24,26-29H2,1-2H3
InChI Key
YIOHISSJXZJVGC-UHFFFAOYSA-N
Formula
C31H56O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
Molecular Weight1
492.77
Sources

Physical Properties

Property Value Unit Source
Δf -54.90 kJ/mol Joback Calculated Property
Δfgas -900.47 kJ/mol Joback Calculated Property
Δfus 84.74 kJ/mol Joback Calculated Property
Δvap 105.06 kJ/mol Joback Calculated Property
logPoct/wat 9.09 Crippen Calculated Property
Pc 643.53 kPa Joback Calculated Property
Tboil 1070.26 K Joback Calculated Property
Tc 1338.77 K Joback Calculated Property
Tfus 689.55 K Joback Calculated Property
Vc 1.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1612.93 J/mol×K 1070.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
#C- 2
-CH2- 25
>C=O (nonring) 2
-CH3 2

Similar Compounds

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

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

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