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

Glutaric acid, but-3-yn-2-yl isohexyl ester

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InChI
InChI=1S/C15H24O4/c1-5-13(4)19-15(17)10-6-9-14(16)18-11-7-8-12(2)3/h1,12-13H,6-11H2,2-4H3
InChI Key
ODFVLBINMDSXIJ-UHFFFAOYSA-N
Formula
C15H24O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OCCCC(C)C
Molecular Weight1
268.35
Sources

Physical Properties

Property Value Unit Source
Δf -174.23 kJ/mol Joback Calculated Property
Δfgas -561.19 kJ/mol Joback Calculated Property
Δfus 36.11 kJ/mol Joback Calculated Property
Δvap 66.38 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Tboil 684.42 K Joback Calculated Property
Tc 872.41 K Joback Calculated Property
Tfus 420.10 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 629.90 J/mol×K 684.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 1
-CH2- 6
#CH 1
-CH3 3

Similar Compounds

Glutaric acid, but-3-yn-2-yl pentyl ester. Glutaric acid, but-3-yn-2-yl butyl ester. Glutaric acid, but-3-yn-2-yl hexyl ester. Glutaric acid, but-3-yn-2-yl propyl ester. Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester. Glutaric acid, but-3-yn-2-yl heptyl ester. Glutaric acid, but-3-yn-2-yl decyl ester. Glutaric acid, but-3-yn-2-yl tetradecyl ester. Glutaric acid, but-3-yn-2-yl pentadecyl ester. Glutaric acid, but-3-yn-2-yl dodecyl ester. Glutaric acid, but-3-yn-2-yl octadecyl ester. Glutaric acid, but-3-yn-2-yl undecyl ester. Glutaric acid, but-3-yn-2-yl tridecyl ester. Glutaric acid, but-3-yn-2-yl octyl ester. Glutaric acid, but-3-yn-2-yl nonyl ester.

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