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

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

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InChI
InChI=1S/C22H38O4/c1-5-7-14-20(18-19(3)4)26-22(24)16-13-11-9-8-10-12-15-21(23)25-17-6-2/h19-20H,5-6,8-13,15-18H2,1-4H3
InChI Key
IENDVDYWTHIQQX-UHFFFAOYSA-N
Formula
C22H38O4
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCCC
Molecular Weight1
366.53
Sources

Physical Properties

Property Value Unit Source
Δf -135.56 kJ/mol Joback Calculated Property
Δfgas -725.27 kJ/mol Joback Calculated Property
Δfus 54.39 kJ/mol Joback Calculated Property
Δvap 84.25 kJ/mol Joback Calculated Property
logPoct/wat 5.43 Crippen Calculated Property
Pc 1066.57 kPa Joback Calculated Property
Tboil 863.46 K Joback Calculated Property
Tc 1060.75 K Joback Calculated Property
Tfus 558.12 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1041.86 J/mol×K 863.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
#C- 2
-CH2- 12
-CH3 4

Similar Compounds

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

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

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