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

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

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InChI
InChI=1S/C20H34O4/c1-5-13-18(6-2)24-20(22)15-12-10-8-7-9-11-14-19(21)23-16-17(3)4/h17-18H,6-12,14-16H2,1-4H3
InChI Key
RKVQQXFRTCAJIJ-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
338.48
Sources

Physical Properties

Property Value Unit Source
Δf -152.40 kJ/mol Joback Calculated Property
Δfgas -683.99 kJ/mol Joback Calculated Property
Δfus 49.21 kJ/mol Joback Calculated Property
Δvap 79.80 kJ/mol Joback Calculated Property
logPoct/wat 4.65 Crippen Calculated Property
Pc 1214.05 kPa Joback Calculated Property
Tboil 817.70 K Joback Calculated Property
Tc 1011.28 K Joback Calculated Property
Tfus 535.58 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 920.80 J/mol×K 817.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 2
-CH3 4
#C- 2
-CH2- 10
>C=O (nonring) 2

Similar Compounds

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

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

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