Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester

Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester

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InChI
InChI=1S/C19H32O4/c1-7-10-16(8-2)23-18(21)12-9-11-17(20)22-14-15(3)13-19(4,5)6/h15-16H,8-9,11-14H2,1-6H3
InChI Key
AJIFYNWMJRAUMO-UHFFFAOYSA-N
Formula
C19H32O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCC(C)CC(C)(C)C
Molecular Weight1
324.45
Sources

Physical Properties

Property Value Unit Source
Δf -157.98 kJ/mol Joback Calculated Property
Δfgas -672.10 kJ/mol Joback Calculated Property
Δfus 39.20 kJ/mol Joback Calculated Property
Δvap 76.28 kJ/mol Joback Calculated Property
logPoct/wat 4.12 Crippen Calculated Property
Pc 1317.52 kPa Joback Calculated Property
Tboil 791.59 K Joback Calculated Property
Tc 990.06 K Joback Calculated Property
Tfus 526.73 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 862.80 J/mol×K 791.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester. Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester. Glutaric acid, hex-4-yn-3-yl isobutyl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-hexyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbutyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester.

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