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

Glutaric acid, tridec-2-yn-1-yl 2-hexyl ester

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InChI
InChI=1S/C24H42O4/c1-4-6-8-9-10-11-12-13-14-15-16-21-27-23(25)19-17-20-24(26)28-22(3)18-7-5-2/h22H,4-14,17-21H2,1-3H3
InChI Key
AHGFZCYRBRWJCS-UHFFFAOYSA-N
Formula
C24H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)CCCC
Molecular Weight1
394.59
Sources

Physical Properties

Property Value Unit Source
Δf -116.28 kJ/mol Joback Calculated Property
Δfgas -761.27 kJ/mol Joback Calculated Property
Δfus 63.09 kJ/mol Joback Calculated Property
Δvap 89.09 kJ/mol Joback Calculated Property
logPoct/wat 6.36 Crippen Calculated Property
Pc 939.79 kPa Joback Calculated Property
Tboil 909.66 K Joback Calculated Property
Tc 1113.76 K Joback Calculated Property
Tfus 595.66 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1165.20 J/mol×K 909.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 16
-CH3 3

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester. Glutaric acid, tridec-2-yn-1-yl 2-decyl ester. Glutaric acid, tridec-2-yn-1-yl 2-octyl ester. Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester. Glutaric acid, tridec-2-yn-1-yl 3-octyl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, pentyl tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Glutaric acid, hexyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl but-3-yn-2-yl ester. Glutaric acid, nonyl tridec-2-ynyl ester. Glutaric acid, heptyl tridec-2-ynyl ester.

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