Chemical Properties of Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester

Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C20H34O4/c1-6-7-11-18(15-17(4)5)24-20(22)13-8-12-19(21)23-14-9-10-16(2)3/h16-18H,6,8-10,12-15H2,1-5H3
InChI Key
TVOQNVJJRLZJCU-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OCCCC(C)C
Molecular Weight1
338.48
Sources

Physical Properties

Property Value Unit Source
Δf -154.84 kJ/mol Joback Calculated Property
Δfgas -689.27 kJ/mol Joback Calculated Property
Δfus 45.68 kJ/mol Joback Calculated Property
Δvap 79.41 kJ/mol Joback Calculated Property
logPoct/wat 4.51 Crippen Calculated Property
Pc 1220.85 kPa Joback Calculated Property
Tboil 817.26 K Joback Calculated Property
Tc 1012.46 K Joback Calculated Property
Tfus 520.58 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 921.30 J/mol×K 817.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 2
-CH3 5
#C- 2
-CH2- 8
>C=O (nonring) 2

Similar Compounds

Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, heptyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl nonyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester. Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, dodecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tetradecyl ester. Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester.

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