Chemical Properties of Octanoic acid, but-3-yn-2-yl ester

Octanoic acid, but-3-yn-2-yl ester

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

InChI
InChI=1S/C12H20O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,11H,4,6-10H2,1,3H3
InChI Key
JGTVWNZUWKACIY-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
C#CC(C)OC(=O)CCCCCCC
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf 36.87 kJ/mol Joback Calculated Property
Δfgas -249.19 kJ/mol Joback Calculated Property
Δfus 29.07 kJ/mol Joback Calculated Property
Δvap 50.93 kJ/mol Joback Calculated Property
logPoct/wat 2.91 Crippen Calculated Property
Pc 2127.56 kPa Joback Calculated Property
Tboil 539.93 K Joback Calculated Property
Tc 723.20 K Joback Calculated Property
Tfus 329.13 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 425.95 J/mol×K 539.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
#C- 1
-CH2- 6
#CH 1
-CH3 2

Similar Compounds

Sebacic acid, di(but-3-yn-2-yl) ester. Sebacic acid, but-3-yn-2-yl propyl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester. Hexanoic acid, but-3-yn-2-yl ester. Sebacic acid, butyl but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl pentyl ester. Sebacic acid, but-3-yn-2-yl decyl ester. Sebacic acid, but-3-yn-2-yl hexyl ester. Sebacic acid, but-3-yn-2-yl octyl ester. Sebacic acid, but-3-yn-2-yl heptyl ester. Sebacic acid, but-3-yn-2-yl nonyl ester. Sebacic acid, but-3-yn-2-yl isobutyl ester. Sebacic acid, but-3-yn-2-yl isohexyl ester. Valeric acid, but-3-yn-2-yl ester. 6-Bromohexanoic acid, but-3-yn-2-yl ester.

Find more compounds similar to Octanoic acid, but-3-yn-2-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.