Chemical Properties of Succinic acid, 3-pentyl tridec-2-ynyl ester

Succinic acid, 3-pentyl tridec-2-ynyl ester

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InChI
InChI=1S/C22H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-25-21(23)17-18-22(24)26-20(5-2)6-3/h20H,4-14,17-19H2,1-3H3
InChI Key
NGDIBZXCEYWSDL-UHFFFAOYSA-N
Formula
C22H38O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(CC)CC
Molecular Weight1
366.53
Sources

Physical Properties

Property Value Unit Source
Δf -133.12 kJ/mol Joback Calculated Property
Δfgas -719.99 kJ/mol Joback Calculated Property
Δfus 57.91 kJ/mol Joback Calculated Property
Δvap 84.64 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1061.02 kPa Joback Calculated Property
Tboil 863.90 K Joback Calculated Property
Tc 1060.36 K Joback Calculated Property
Tfus 573.12 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1041.39 J/mol×K 863.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 14
-CH3 3

Similar Compounds

Succinic acid, tridec-2-yn-1-yl 3-hexyl ester. Succinic acid, tridec-2-yn-1-yl 4-heptyl ester. Succinic acid, tridec-2-yn-1-yl cyclopentyl ester. Succinic acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Succinic acid, tridec-2-yn-1-yl 2-hexyl ester. Succinic acid, tridec-2-yn-1-yl 4-octyl ester. Succinic acid, tridec-2-yn-1-yl 3-heptyl ester. Succinic acid, tridec-2-yn-1-yl 2-heptyl ester. Succinic acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Succinic acid, tridec-2-yn-1-yl 3,3-dimethylbut-2-yl ester. Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester. Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester. Succinic acid, tridec-2-yn-1-yl but-3-en-1-yl ester. Succinic acid, tridec-2-yn-1-yl pent-4-en-1-yl ester. Succinic acid, tridec-2-yn-1-yl 2-methylbutyl ester.

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