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

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

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InChI
InChI=1S/C16H26O4/c1-6-9-13(7-2)20-15(18)11-8-10-14(17)19-12-16(3,4)5/h13H,7-8,10-12H2,1-5H3
InChI Key
CWYIPKPQIOVVBI-UHFFFAOYSA-N
Formula
C16H26O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCC(C)(C)C
Molecular Weight1
282.38
Sources

Physical Properties

Property Value Unit Source
Δf -180.80 kJ/mol Joback Calculated Property
Δfgas -604.90 kJ/mol Joback Calculated Property
Δfus 34.95 kJ/mol Joback Calculated Property
Δvap 69.99 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 1632.49 kPa Joback Calculated Property
Tboil 723.39 K Joback Calculated Property
Tc 922.55 K Joback Calculated Property
Tfus 507.92 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 690.74 J/mol×K 723.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 5
>C< 1
-CH3 5

Similar Compounds

Glutaric acid, hex-4-yn-3-yl isobutyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Glutaric acid, hex-4-yn-3-yl isopropyl 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. Glutaric acid, heptyl hex-4-yn-3-yl ester. Valeric acid, hex-4-yn-3-yl ester.

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