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

Glutaric acid, isohexyl tridec-2-ynyl ester

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InChI
InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-27-23(25)18-15-19-24(26)28-21-16-17-22(2)3/h22H,4-12,15-21H2,1-3H3
InChI Key
PXCXUMLRLOQMRQ-UHFFFAOYSA-N
Formula
C24H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCCC(C)C
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 6.21 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
-CH3 3
#C- 2
-CH2- 16
>C=O (nonring) 2

Similar Compounds

Glutaric acid, pentyl tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl 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, propyl tridec-2-ynyl ester. Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Glutaric acid, di(tridec-2-ynyl) ester. Glutaric acid, ethyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, tridec-2-yn-1-yl 8-chlorooctyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. Glutaric acid, isobutyl tridec-2-ynyl ester.

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