Chemical Properties of Glutaric acid, isobutyl tridec-2-ynyl ester

Glutaric acid, isobutyl tridec-2-ynyl ester

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InChI
InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)16-15-17-22(24)26-19-20(2)3/h20H,4-12,15-19H2,1-3H3
InChI Key
YZSLHWTYHZDBIH-UHFFFAOYSA-N
Formula
C22H38O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
366.53
Sources

Physical Properties

Property Value Unit Source
Δf -133.12 kJ/mol Joback Calculated Property
Δfgas -719.99 kJ/mol Joback Calculated Property
Δfus 57.91 kJ/mol Joback Calculated Property
Δvap 84.64 kJ/mol Joback Calculated Property
logPoct/wat 5.43 Crippen Calculated Property
Pc 1061.02 kPa Joback Calculated Property
Tboil 863.90 K Joback Calculated Property
Tc 1060.36 K Joback Calculated Property
Tfus 573.12 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1041.39 J/mol×K 863.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
#C- 2
-CH2- 14
>C=O (nonring) 2

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl neopentyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylbutyl ester. Glutaric acid, propyl tridec-2-ynyl ester. Glutaric acid, ethyl tridec-2-ynyl ester. Glutaric acid, di(tridec-2-ynyl) ester. Glutaric acid, butyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylbutyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester. Glutaric acid, pentyl tridec-2-ynyl ester. Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Glutaric acid, hexyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl dodecyl ester. Glutaric acid, nonyl tridec-2-ynyl ester. Glutaric acid, heptyl tridec-2-ynyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester.

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