Chemical Properties of Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester

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InChI
InChI=1S/C27H46O4/c1-6-7-8-9-10-11-12-13-14-15-21-30-26(28)17-16-18-27(29)31-25(22-24(4)5)20-19-23(2)3/h24-25H,2,6-18,21-22H2,1,3-5H3
InChI Key
BVYNFJVQYODSLK-UHFFFAOYSA-N
Formula
C27H46O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCCCC
Molecular Weight1
434.65
Sources

Physical Properties

Property Value Unit Source
Δf -14.17 kJ/mol Joback Calculated Property
Δfgas -712.83 kJ/mol Joback Calculated Property
Δfus 64.75 kJ/mol Joback Calculated Property
Δvap 94.79 kJ/mol Joback Calculated Property
logPoct/wat 7.16 Crippen Calculated Property
Pc 818.66 kPa Joback Calculated Property
Tboil 974.42 K Joback Calculated Property
Tc 1194.01 K Joback Calculated Property
Tfus 598.75 K Joback Calculated Property
Vc 1.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1324.88 J/mol×K 974.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
=CH2 1
#C- 2
-CH2- 15
-CH3 4

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester. Glutaric acid, decyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl octyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester.

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