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

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

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InChI
InChI=1S/C23H40O4/c1-5-7-15-21(19-20(3)4)27-23(25)17-14-12-10-9-11-13-16-22(24)26-18-8-6-2/h20-21H,5-6,8-14,16-19H2,1-4H3
InChI Key
HZFURJSOJOTBSV-UHFFFAOYSA-N
Formula
C23H40O4
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCCCC
Molecular Weight1
380.56
Sources

Physical Properties

Property Value Unit Source
Δf -127.14 kJ/mol Joback Calculated Property
Δfgas -745.91 kJ/mol Joback Calculated Property
Δfus 56.98 kJ/mol Joback Calculated Property
Δvap 86.48 kJ/mol Joback Calculated Property
logPoct/wat 5.82 Crippen Calculated Property
Pc 1002.71 kPa Joback Calculated Property
Tboil 886.34 K Joback Calculated Property
Tc 1086.67 K Joback Calculated Property
Tfus 569.39 K Joback Calculated Property
Vc 1.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1103.44 J/mol×K 886.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 13
-CH3 4

Similar Compounds

Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl 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. Valeric acid, 2-methyloct-5-yn-4-yl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tetradecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester.

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