Chemical Properties of Glutaric acid, tridec-2-yn-1-yl but-3-yn-2-yl ester

Glutaric acid, tridec-2-yn-1-yl but-3-yn-2-yl ester

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InChI
InChI=1S/C22H34O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-18-22(24)26-20(3)5-2/h2,20H,4,6-13,16-19H2,1,3H3
InChI Key
TUNRMAFEKIQDNW-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OCC#CCCCCCCCCCC
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf 89.95 kJ/mol Joback Calculated Property
Δfgas -428.09 kJ/mol Joback Calculated Property
Δfus 60.88 kJ/mol Joback Calculated Property
Δvap 84.50 kJ/mol Joback Calculated Property
logPoct/wat 4.80 Crippen Calculated Property
Pc 1171.22 kPa Joback Calculated Property
Tboil 854.02 K Joback Calculated Property
Tc 1052.60 K Joback Calculated Property
Tfus 620.09 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 983.70 J/mol×K 854.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 2
#C- 3
-CH2- 13
#CH 1
>C=O (nonring) 2

Similar Compounds

Glutaric acid, di(tridec-2-ynyl) ester. Glutaric acid, ethyl tridec-2-ynyl ester. Glutaric acid, propyl tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Glutaric acid, pentyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 2-hexyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, hexyl tridec-2-ynyl ester. Glutaric acid, but-3-en-2-yl tridec-2-yn-1-yl ester. Valeric acid, tridec-2-ynyl ester. Glutaric acid, heptyl tridec-2-ynyl ester. Glutaric acid, isobutyl tridec-2-ynyl ester. Glutaric acid, nonyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl dodecyl ester. Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester.

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