Chemical Properties of Acetoxyacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

Acetoxyacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

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

InChI
InChI=1S/C15H22O4/c1-6-7-12(4)14(9-8-11(2)3)19-15(17)10-18-13(5)16/h12,14H,2,6-7,10H2,1,3-5H3
InChI Key
PEFAJKNLWUCYSW-UHFFFAOYSA-N
Formula
C15H22O4
SMILES
C=C(C)C#CC(OC(=O)COC(C)=O)C(C)CCC
Molecular Weight1
266.33
Sources

Physical Properties

Property Value Unit Source
Δf -115.21 kJ/mol Joback Calculated Property
Δfgas -465.15 kJ/mol Joback Calculated Property
Δfus 33.67 kJ/mol Joback Calculated Property
Δvap 68.08 kJ/mol Joback Calculated Property
logPoct/wat 2.48 Crippen Calculated Property
Pc 1821.61 kPa Joback Calculated Property
Tboil 699.86 K Joback Calculated Property
Tc 900.95 K Joback Calculated Property
Tfus 463.51 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 609.50 J/mol×K 699.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
=CH2 1
#C- 2
-CH2- 3
-CH3 4

Similar Compounds

Acetoxyacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,2-Dimethylpropanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobutanoic acid, 2,6-dimethylnon-1-en-3--yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Succinic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Acetoxyacetic acid, 2,6-dimethylnon-1-en-3-yn-5-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.