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

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

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InChI
InChI=1S/C20H34O4/c1-5-18(4)24-20(22)15-11-9-7-6-8-10-14-19(21)23-16-12-13-17(2)3/h1,17-18H,6-16H2,2-4H3
InChI Key
AOCYHYCWKKKTCX-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
C#CC(C)OC(=O)CCCCCCCCC(=O)OCCCC(C)C
Molecular Weight1
338.48
Sources

Physical Properties

Property Value Unit Source
Δf -132.13 kJ/mol Joback Calculated Property
Δfgas -664.39 kJ/mol Joback Calculated Property
Δfus 49.06 kJ/mol Joback Calculated Property
Δvap 77.51 kJ/mol Joback Calculated Property
logPoct/wat 4.65 Crippen Calculated Property
Pc 1203.96 kPa Joback Calculated Property
Tboil 798.82 K Joback Calculated Property
Tc 986.75 K Joback Calculated Property
Tfus 476.45 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 914.74 J/mol×K 798.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 1
-CH2- 11
#CH 1
-CH3 3

Similar Compounds

Sebacic acid, but-3-yn-2-yl pentyl ester. Sebacic acid, but-3-yn-2-yl hexyl ester. Sebacic acid, but-3-yn-2-yl decyl ester. Sebacic acid, but-3-yn-2-yl heptyl ester. Sebacic acid, but-3-yn-2-yl nonyl ester. Sebacic acid, but-3-yn-2-yl octyl ester. Sebacic acid, butyl but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Sebacic acid, di(but-3-yn-2-yl) ester. Octanoic acid, but-3-yn-2-yl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl isobutyl ester. Glutaric acid, but-3-yn-2-yl tetradecyl ester. Glutaric acid, but-3-yn-2-yl nonyl ester. Glutaric acid, but-3-yn-2-yl tridecyl ester.

Find more compounds similar to Sebacic acid, but-3-yn-2-yl isohexyl ester.

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