Chemical Properties of Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester

Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester

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InChI
InChI=1S/C25H44O4/c1-4-7-8-9-10-11-12-13-14-15-16-22-28-24(26)20-17-21-25(27)29-23(18-5-2)19-6-3/h23H,4-14,17-22H2,1-3H3
InChI Key
FTMPWKDYBRNLQH-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(CCC)CCC
Molecular Weight1
408.61
Sources

Physical Properties

Property Value Unit Source
Δf -107.86 kJ/mol Joback Calculated Property
Δfgas -781.91 kJ/mol Joback Calculated Property
Δfus 65.68 kJ/mol Joback Calculated Property
Δvap 91.32 kJ/mol Joback Calculated Property
logPoct/wat 6.75 Crippen Calculated Property
Pc 886.83 kPa Joback Calculated Property
Tboil 932.54 K Joback Calculated Property
Tc 1141.86 K Joback Calculated Property
Tfus 606.93 K Joback Calculated Property
Vc 1.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1227.96 J/mol×K 932.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 17
-CH3 3

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 3-octyl ester. Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-hexyl ester. Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl 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 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Succinic acid, tridec-2-yn-1-yl 4-octyl ester. Succinic acid, tridec-2-yn-1-yl 3-heptyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Succinic acid, tridec-2-yn-1-yl 4-heptyl ester.

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