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

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

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InChI
InChI=1S/C19H32O4/c1-4-6-13-16-22-18(20)14-11-9-7-8-10-12-15-19(21)23-17(3)5-2/h2,17H,4,6-16H2,1,3H3
InChI Key
LMPOTNXOFUMTCJ-UHFFFAOYSA-N
Formula
C19H32O4
SMILES
C#CC(C)OC(=O)CCCCCCCCC(=O)OCCCCC
Molecular Weight1
324.45
Sources

Physical Properties

Property Value Unit Source
Δf -138.11 kJ/mol Joback Calculated Property
Δfgas -638.47 kJ/mol Joback Calculated Property
Δfus 49.99 kJ/mol Joback Calculated Property
Δvap 75.67 kJ/mol Joback Calculated Property
logPoct/wat 4.41 Crippen Calculated Property
Pc 1280.99 kPa Joback Calculated Property
Tboil 776.38 K Joback Calculated Property
Tc 961.54 K Joback Calculated Property
Tfus 480.18 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 855.24 J/mol×K 776.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 1
-CH2- 12
#CH 1
-CH3 2

Similar Compounds

Sebacic acid, but-3-yn-2-yl nonyl ester. Sebacic acid, but-3-yn-2-yl octyl 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 pentyl ester.

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