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

Sebacic acid, pentyl tridec-2-ynyl ester

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InChI
InChI=1S/C28H50O4/c1-3-5-7-8-9-10-11-12-15-18-22-26-32-28(30)24-20-17-14-13-16-19-23-27(29)31-25-21-6-4-2/h3-17,19-21,23-26H2,1-2H3
InChI Key
GNRDJCYEHCSQOM-UHFFFAOYSA-N
Formula
C28H50O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(=O)OCCCCC
Molecular Weight1
450.69
Sources

Physical Properties

Property Value Unit Source
Δf -80.16 kJ/mol Joback Calculated Property
Δfgas -838.55 kJ/mol Joback Calculated Property
Δfus 76.97 kJ/mol Joback Calculated Property
Δvap 98.39 kJ/mol Joback Calculated Property
logPoct/wat 7.92 Crippen Calculated Property
Pc 748.97 kPa Joback Calculated Property
Tboil 1001.62 K Joback Calculated Property
Tc 1234.79 K Joback Calculated Property
Tfus 655.74 K Joback Calculated Property
Vc 1.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1418.69 J/mol×K 1001.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
#C- 2
-CH2- 22
>C=O (nonring) 2
-CH3 2

Similar Compounds

Sebacic acid, heptyl tridec-2-ynyl ester. Sebacic acid, hexyl tridec-2-ynyl ester. Sebacic acid, octyl 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, pentyl tridec-2-ynyl ester.

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