Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

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

InChI
InChI=1S/C22H40O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)18-20(2)19-22(3,4)5/h20H,6-14,17-19H2,1-5H3
InChI Key
OYXBAGBKRSEBOW-UHFFFAOYSA-N
Formula
C22H40O2
SMILES
CCCCCCCCCCC#CCOC(=O)CC(C)CC(C)(C)C
Molecular Weight1
336.55
Sources

Physical Properties

Property Value Unit Source
Δf 103.64 kJ/mol Joback Calculated Property
Δfgas -483.94 kJ/mol Joback Calculated Property
Δfus 47.71 kJ/mol Joback Calculated Property
Δvap 74.19 kJ/mol Joback Calculated Property
logPoct/wat 6.53 Crippen Calculated Property
Pc 1042.60 kPa Joback Calculated Property
Tboil 784.38 K Joback Calculated Property
Tc 973.01 K Joback Calculated Property
Tfus 503.38 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 985.40 J/mol×K 784.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 5
#C- 2
-CH2- 12
>C< 1
>C=O (nonring) 1

Similar Compounds

Hexanoic acid, 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. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Sebacic acid, propyl tridec-2-ynyl ester. 3-Cyclopentylpropionic acid, tridec-2-ynyl ester. Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester. Sebacic acid, isobutyl tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester. Sebacic acid, isohexyl 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, heptyl tridec-2-ynyl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl 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.