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

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

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InChI
InChI=1S/C22H38O4/c1-4-6-7-8-13-16-19-25-21(23)17-14-11-9-10-12-15-18-22(24)26-20(3)5-2/h2,20H,4,6-19H2,1,3H3
InChI Key
CVJWVMVFLQGXEN-UHFFFAOYSA-N
Formula
C22H38O4
SMILES
C#CC(C)OC(=O)CCCCCCCCC(=O)OCCCCCCCC
Molecular Weight1
366.53
Sources

Physical Properties

Property Value Unit Source
Δf -112.85 kJ/mol Joback Calculated Property
Δfgas -700.39 kJ/mol Joback Calculated Property
Δfus 57.76 kJ/mol Joback Calculated Property
Δvap 82.35 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1052.77 kPa Joback Calculated Property
Tboil 845.02 K Joback Calculated Property
Tc 1036.58 K Joback Calculated Property
Tfus 513.99 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1034.77 J/mol×K 845.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 1
-CH2- 15
#CH 1
-CH3 2

Similar Compounds

Sebacic acid, but-3-yn-2-yl nonyl ester. Sebacic acid, but-3-yn-2-yl pentyl ester. Sebacic acid, but-3-yn-2-yl heptyl ester. Sebacic acid, but-3-yn-2-yl decyl ester. Sebacic acid, but-3-yn-2-yl hexyl ester. Sebacic acid, butyl but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Sebacic acid, but-3-yn-2-yl isohexyl 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. Hexanoic acid, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl decyl ester. Glutaric acid, but-3-yn-2-yl octadecyl ester.

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

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