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

Glutaric acid, butyl tridec-2-ynyl ester

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InChI
InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-20-26-22(24)18-16-17-21(23)25-19-6-4-2/h3-13,16-20H2,1-2H3
InChI Key
HTUSNTDCBHOVKU-UHFFFAOYSA-N
Formula
C22H38O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCCC
Molecular Weight1
366.53
Sources

Physical Properties

Property Value Unit Source
Δf -130.68 kJ/mol Joback Calculated Property
Δfgas -714.71 kJ/mol Joback Calculated Property
Δfus 61.43 kJ/mol Joback Calculated Property
Δvap 85.03 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1055.51 kPa Joback Calculated Property
Tboil 864.34 K Joback Calculated Property
Tc 1060.10 K Joback Calculated Property
Tfus 588.12 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1040.92 J/mol×K 864.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 2
-CH2- 16
>C=O (nonring) 2
-CH3 2

Similar Compounds

Glutaric acid, pentyl tridec-2-ynyl ester. Glutaric acid, propyl tridec-2-ynyl ester. Glutaric acid, hexyl tridec-2-ynyl ester. Glutaric acid, di(tridec-2-ynyl) ester. Glutaric acid, ethyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl dodecyl ester. Glutaric acid, heptyl tridec-2-ynyl ester. Glutaric acid, nonyl tridec-2-ynyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Glutaric acid, isobutyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 8-chlorooctyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylbutyl ester. Valeric acid, tridec-2-ynyl ester.

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