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

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

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InChI
InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-24(26)19-17-20-25(27)29-23(18-6-2)22(3)4/h22-23H,5-14,17-21H2,1-4H3
InChI Key
MINHKHDCLHKHON-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(CCC)C(C)C
Molecular Weight1
408.61
Sources

Physical Properties

Property Value Unit Source
Δf -110.30 kJ/mol Joback Calculated Property
Δfgas -787.19 kJ/mol Joback Calculated Property
Δfus 62.16 kJ/mol Joback Calculated Property
Δvap 90.93 kJ/mol Joback Calculated Property
logPoct/wat 6.60 Crippen Calculated Property
Pc 891.07 kPa Joback Calculated Property
Tboil 932.10 K Joback Calculated Property
Tc 1141.17 K Joback Calculated Property
Tfus 591.93 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1228.36 J/mol×K 932.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 15
-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 hept-4-yl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, cyclopentyl tridec-2-yn-1-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 2-hexyl ester. Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester. Glutaric acid, but-3-yn-2-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, 2-methylpent-3-yl dodec-9-yn-1-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester.

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