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

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

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InChI
InChI=1S/C19H32O4/c1-4-13-17(6-3)23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-5-2/h17H,5-12,14-16H2,1-3H3
InChI Key
RBBOWRZYKXNPIH-UHFFFAOYSA-N
Formula
C19H32O4
SMILES
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OCCC
Molecular Weight1
324.45
Sources

Physical Properties

Property Value Unit Source
Δf -158.38 kJ/mol Joback Calculated Property
Δfgas -658.07 kJ/mol Joback Calculated Property
Δfus 50.14 kJ/mol Joback Calculated Property
Δvap 77.96 kJ/mol Joback Calculated Property
logPoct/wat 4.406 Crippen Calculated Property
Pc 1292.07 kPa Joback Calculated Property
Tboil 795.26 K Joback Calculated Property
Tc 986.26 K Joback Calculated Property
Tfus 539.31 K Joback Calculated Property
Vc 1.103 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 860.94 J/mol×K 795.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
#C- 2
-CH2- 11
>C=O (nonring) 2

Similar Compounds

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

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

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