Chemical Properties of Glutaric acid, hex-4-yn-3-yl isobutyl ester

Glutaric acid, hex-4-yn-3-yl isobutyl ester

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InChI
InChI=1S/C15H24O4/c1-5-8-13(6-2)19-15(17)10-7-9-14(16)18-11-12(3)4/h12-13H,6-7,9-11H2,1-4H3
InChI Key
CRTYWRCYZWYOFK-UHFFFAOYSA-N
Formula
C15H24O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
268.35
Sources

Physical Properties

Property Value Unit Source
Δf -194.50 kJ/mol Joback Calculated Property
Δfgas -580.79 kJ/mol Joback Calculated Property
Δfus 36.26 kJ/mol Joback Calculated Property
Δvap 68.67 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 1750.67 kPa Joback Calculated Property
Tboil 703.30 K Joback Calculated Property
Tc 898.78 K Joback Calculated Property
Tfus 479.23 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 633.75 J/mol×K 703.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH3 4
#C- 2
-CH2- 5
>C=O (nonring) 2

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbutyl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Valeric acid, hex-4-yn-3-yl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester.

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