Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester

Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester

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InChI
InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(4)20(2)3/h20-21H,5-13,16-19H2,1-4H3
InChI Key
ITTRJWLKFIPLRK-UHFFFAOYSA-N
Formula
C23H40O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)C(C)C
Molecular Weight1
380.56
Sources

Physical Properties

Property Value Unit Source
Δf -127.14 kJ/mol Joback Calculated Property
Δfgas -745.91 kJ/mol Joback Calculated Property
Δfus 56.98 kJ/mol Joback Calculated Property
Δvap 86.48 kJ/mol Joback Calculated Property
logPoct/wat 5.82 Crippen Calculated Property
Pc 1002.71 kPa Joback Calculated Property
Tboil 886.34 K Joback Calculated Property
Tc 1086.67 K Joback Calculated Property
Tfus 569.39 K Joback Calculated Property
Vc 1.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1103.44 J/mol×K 886.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 13
-CH3 4

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Glutaric acid, isobutyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 2-hexyl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester. Glutaric acid, tridec-2-yn-1-yl 2-octyl ester. Glutaric acid, tridec-2-yn-1-yl 2-decyl ester. Glutaric acid, tridec-2-yn-1-yl neopentyl ester. Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester. Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylbutyl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylbutyl ester. Glutaric acid, tridec-2-yn-1-yl but-3-yn-2-yl ester.

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