Chemical Properties of Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester

Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester

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InChI
InChI=1S/C30H54O4/c1-5-7-9-10-11-12-15-18-21-25-33-29(31)23-19-16-13-14-17-20-24-30(32)34-28(22-8-6-2)26-27(3)4/h27-28H,5-7,9-21,23-26H2,1-4H3
InChI Key
CIFQIIMMNXZCAX-UHFFFAOYSA-N
Formula
C30H54O4
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCCCCCCCCCCC
Molecular Weight1
478.75
Sources

Physical Properties

Property Value Unit Source
Δf -68.20 kJ/mol Joback Calculated Property
Δfgas -890.39 kJ/mol Joback Calculated Property
Δfus 75.11 kJ/mol Joback Calculated Property
Δvap 102.06 kJ/mol Joback Calculated Property
logPoct/wat 8.55 Crippen Calculated Property
Pc 681.71 kPa Joback Calculated Property
Tboil 1046.50 K Joback Calculated Property
Tc 1296.55 K Joback Calculated Property
Tfus 648.28 K Joback Calculated Property
Vc 1.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1548.31 J/mol×K 1046.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 20
-CH3 4

Similar Compounds

Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester. Glutaric acid, decyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, dodecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester.

Find more compounds similar to Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester.

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