Chemical Properties of Glutaric acid, isobutyl 3-oxobut-2-yl ester

Glutaric acid, isobutyl 3-oxobut-2-yl ester

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

InChI
InChI=1S/C13H22O5/c1-9(2)8-17-12(15)6-5-7-13(16)18-11(4)10(3)14/h9,11H,5-8H2,1-4H3
InChI Key
QYJTZJKDGFPZIV-UHFFFAOYSA-N
Formula
C13H22O5
SMILES
CC(=O)C(C)OC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
258.31
Sources

Physical Properties

Property Value Unit Source
Δf -543.06 kJ/mol Joback Calculated Property
Δfgas -924.39 kJ/mol Joback Calculated Property
Δfus 29.55 kJ/mol Joback Calculated Property
Δvap 68.81 kJ/mol Joback Calculated Property
logPoct/wat 1.88 Crippen Calculated Property
Pc 1898.60 kPa Joback Calculated Property
Tboil 702.41 K Joback Calculated Property
Tc 891.53 K Joback Calculated Property
Tfus 400.52 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 590.37 J/mol×K 702.41 Joback Calculated Property
η 0.00 Pa×s 702.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Glutaric acid, di(3-oxobut-2-yl) ester. Glutaric acid, ethyl 3-oxobut-2-yl ester. Glutaric acid, 3-oxobut-2-yl propyl ester. Glutaric acid, butyl 3-oxobut-2-yl ester. Glutaric acid, 3-oxobut-2-yl pentyl ester. Glutaric acid, hexyl 3-oxobut-2-yl ester. Glutaric acid, isohexyl 3-oxobut-2-yl ester. Glutaric acid, heptyl 3-oxobut-2-yl ester. Glutaric acid, 3-oxobut-2-yl tetradecyl ester. Glutaric acid, nonyl 3-oxobut-2-yl ester. Glutaric acid, 3-oxobut-2-yl tridecyl ester. Glutaric acid, decyl 3-oxobut-2-yl ester. Glutaric acid, dodecyl 3-oxobut-2-yl ester. Glutaric acid, octyl 3-oxobut-2-yl ester. Glutaric acid, 3-oxobut-2-yl undecyl ester.

Find more compounds similar to Glutaric acid, isobutyl 3-oxobut-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.