Chemical Properties of Sebacic acid, isobutyl pentyl ester

Sebacic acid, isobutyl pentyl ester

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InChI
InChI=1S/C19H36O4/c1-4-5-12-15-22-18(20)13-10-8-6-7-9-11-14-19(21)23-16-17(2)3/h17H,4-16H2,1-3H3
InChI Key
IRCMHXCPVNVLLS-UHFFFAOYSA-N
Formula
C19H36O4
SMILES
CCCCCOC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
328.49
Sources

Physical Properties

Property Value Unit Source
Δf -361.18 kJ/mol Joback Calculated Property
Δfgas -930.37 kJ/mol Joback Calculated Property
Δfus 47.02 kJ/mol Joback Calculated Property
Δvap 75.81 kJ/mol Joback Calculated Property
logPoct/wat 5.04 Crippen Calculated Property
Pc 1155.35 kPa Joback Calculated Property
Tboil 786.26 K Joback Calculated Property
Tc 968.16 K Joback Calculated Property
Tfus 433.21 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 909.39 J/mol×K 786.26 Joback Calculated Property
η 0.00 Pa×s 786.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 13
>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 nonyl 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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