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

Sebacic acid, butyl tridec-2-ynyl ester

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InChI
InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h3-17,19-20,22-25H2,1-2H3
InChI Key
WQGZOSUVBCJTRE-UHFFFAOYSA-N
Formula
C27H48O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(=O)OCCCC
Molecular Weight1
436.67
Sources

Physical Properties

Property Value Unit Source
Δf -88.58 kJ/mol Joback Calculated Property
Δfgas -817.91 kJ/mol Joback Calculated Property
Δfus 74.38 kJ/mol Joback Calculated Property
Δvap 96.16 kJ/mol Joback Calculated Property
logPoct/wat 7.53 Crippen Calculated Property
Pc 789.93 kPa Joback Calculated Property
Tboil 978.74 K Joback Calculated Property
Tc 1202.90 K Joback Calculated Property
Tfus 644.47 K Joback Calculated Property
Vc 1.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1354.57 J/mol×K 978.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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