Chemical Properties of Sebacic acid, isobutyl nonyl ester

Sebacic acid, isobutyl nonyl ester

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InChI
InChI=1S/C23H44O4/c1-4-5-6-7-10-13-16-19-26-22(24)17-14-11-8-9-12-15-18-23(25)27-20-21(2)3/h21H,4-20H2,1-3H3
InChI Key
RERNDEIBYJZPEF-UHFFFAOYSA-N
Formula
C23H44O4
SMILES
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
384.59
Sources

Physical Properties

Property Value Unit Source
Δf -327.50 kJ/mol Joback Calculated Property
Δfgas -1012.93 kJ/mol Joback Calculated Property
Δfus 57.38 kJ/mol Joback Calculated Property
Δvap 84.72 kJ/mol Joback Calculated Property
logPoct/wat 6.60 Crippen Calculated Property
Pc 903.97 kPa Joback Calculated Property
Tboil 877.78 K Joback Calculated Property
Tc 1074.72 K Joback Calculated Property
Tfus 478.29 K Joback Calculated Property
Vc 1.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1154.96 J/mol×K 877.78 Joback Calculated Property
η 0.00 Pa×s 877.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH2- 17
>C=O (nonring) 2
-CH3 3

Similar Compounds

Sebacic acid, isobutyl octyl ester. Pimelic acid, 2-methylpropyl nonyl ester. Pimelic acid, 2-methylpropyl pentadecyl ester. Pimelic acid, 2-methylpropyl octadecyl ester. Pimelic acid, 2-methylpropyl octyl ester. Sebacic acid, isobutyl pentyl ester. Sebacic acid, isobutyl tetradecyl ester. Sebacic acid, decyl isobutyl ester. Pimelic acid, decyl 2-methylpropyl ester. Pimelic acid, hexadecyl 2-methylpropyl ester. Sebacic acid, heptadecyl isobutyl ester. Pimelic acid, 2-methylpropyl tridecyl ester. Pimelic acid, 2-methylpropyl tetradecyl ester. Sebacic acid, hexyl isobutyl ester. Pimelic acid, 2-methylpropyl undecyl ester.

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