Chemical Properties of Sebacic acid, di(hex-4-yn-3-yl) ester

Sebacic acid, di(hex-4-yn-3-yl) ester

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InChI
InChI=1S/C22H34O4/c1-5-15-19(7-3)25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(8-4)16-6-2/h19-20H,7-14,17-18H2,1-4H3
InChI Key
QQLNDMMAGCZRSB-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC(C#CC)CC
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf 67.24 kJ/mol Joback Calculated Property
Δfgas -452.97 kJ/mol Joback Calculated Property
Δfus 57.51 kJ/mol Joback Calculated Property
Δvap 86.41 kJ/mol Joback Calculated Property
logPoct/wat 4.80 Crippen Calculated Property
Pc 1187.42 kPa Joback Calculated Property
Tboil 872.46 K Joback Calculated Property
Tc 1078.06 K Joback Calculated Property
Tfus 664.22 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 989.98 J/mol×K 872.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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