Chemical Properties of Succinic acid, tridec-2-yn-1-yl but-2-en-1-yl ester

Succinic acid, tridec-2-yn-1-yl but-2-en-1-yl ester

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InChI
InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4,6H,3,5,7-13,16-19H2,1-2H3/b6-4+
InChI Key
MKTYYSMDIFDHNX-GQCTYLIASA-N
Formula
C21H34O4
SMILES
CC=CCOC(=O)CCC(=O)OCC#CCCCCCCCCCC
Molecular Weight1
350.49
Sources

Physical Properties

Property Value Unit Source
Δf -58.88 kJ/mol Joback Calculated Property
Δfgas -576.85 kJ/mol Joback Calculated Property
Δfus 59.04 kJ/mol Joback Calculated Property
Δvap 82.76 kJ/mol Joback Calculated Property
logPoct/wat 4.96 Crippen Calculated Property
Pc 1164.84 kPa Joback Calculated Property
Tboil 845.62 K Joback Calculated Property
Tc 1041.38 K Joback Calculated Property
Tfus 571.77 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 953.81 J/mol×K 845.62 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Succinic acid, tridec-2-yn-1-yl cis-pent-2-en-1-yl 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 trans-hex-3-en-1-yl ester. Succinic acid, tridec-2-yn-1-yl 2-methoxyethyl ester. Succinic acid, tridec-2-yn-1-yl 3-methylbut-3-en-1-yl ester. Succinic acid, tridec-2-yn-1-yl 2-ethoxyethyl ester. Succinic acid, tridec-2-yn-1-yl non-3-en-1-yl ester. Glutaric acid, pent-2-en-1-yl tridec-2-yn-1-yl ester. Succinic acid, tridec-2-yn-1-yl 3-methylpentyl ester. Succinic acid, tridec-2-yn-1-yl 2-methylbutyl ester. Glutaric acid, hex-2-en-1-yl tridec-2-yn-1-yl ester. Succinic acid, tridec-2-yn-1-yl 2-ethylbutyl ester. Succinic acid, 3-pentyl tridec-2-ynyl ester. Succinic acid, tridec-2-yn-1-yl 2-methylpentyl ester.

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