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

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

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InChI
InChI=1S/C17H28O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3
InChI Key
SKVUSZAZXGCAQB-UHFFFAOYSA-N
Formula
C17H28O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
Molecular Weight1
296.40
Sources

Physical Properties

Property Value Unit Source
Δf -175.22 kJ/mol Joback Calculated Property
Δfgas -616.79 kJ/mol Joback Calculated Property
Δfus 44.96 kJ/mol Joback Calculated Property
Δvap 73.51 kJ/mol Joback Calculated Property
logPoct/wat 3.63 Crippen Calculated Property
Pc 1490.74 kPa Joback Calculated Property
Tboil 749.50 K Joback Calculated Property
Tc 940.19 K Joback Calculated Property
Tfus 516.77 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 744.99 J/mol×K 749.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 9
-CH3 3

Similar Compounds

Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl pentadecyl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl undecyl ester. Glutaric acid, hex-4-yn-3-yl nonyl ester. Glutaric acid, decyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl tridecyl ester. Glutaric acid, hex-4-yn-3-yl hexadecyl ester. Glutaric acid, hex-4-yn-3-yl octyl ester. Glutaric acid, heptadecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, hex-4-yn-3-yl octadecyl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl dodec-9-yn-1-yl ester.

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