Chemical Properties of Sebacic acid, butyl hex-4-yn-3-yl ester

Sebacic acid, butyl hex-4-yn-3-yl ester

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InChI
InChI=1S/C20H34O4/c1-4-7-17-23-19(21)15-12-10-8-9-11-13-16-20(22)24-18(6-3)14-5-2/h18H,4,6-13,15-17H2,1-3H3
InChI Key
SUKFQKDHPGSEJP-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OCCCC
Molecular Weight1
338.48
Sources

Physical Properties

Property Value Unit Source
Δf -149.96 kJ/mol Joback Calculated Property
Δfgas -678.71 kJ/mol Joback Calculated Property
Δfus 52.73 kJ/mol Joback Calculated Property
Δvap 80.19 kJ/mol Joback Calculated Property
logPoct/wat 4.80 Crippen Calculated Property
Pc 1207.31 kPa Joback Calculated Property
Tboil 818.14 K Joback Calculated Property
Tc 1010.24 K Joback Calculated Property
Tfus 550.58 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 920.30 J/mol×K 818.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
#C- 2
-CH2- 12
>C=O (nonring) 2

Similar Compounds

Sebacic acid, hex-4-yn-3-yl pentadecyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Sebacic acid, heptyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tridecyl ester. Sebacic acid, decyl hex-4-yn-3-yl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl isobutyl ester.

Find more compounds similar to Sebacic acid, butyl hex-4-yn-3-yl ester.

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