Chemical Properties of Sebacic acid, 4-heptyl isobutyl ester

Sebacic acid, 4-heptyl isobutyl ester

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InChI
InChI=1S/C21H40O4/c1-5-13-19(14-6-2)25-21(23)16-12-10-8-7-9-11-15-20(22)24-17-18(3)4/h18-19H,5-17H2,1-4H3
InChI Key
WWPHUQVOGNLDRG-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CCCC(CCC)OC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
356.54
Sources

Physical Properties

Property Value Unit Source
Δf -346.78 kJ/mol Joback Calculated Property
Δfgas -976.93 kJ/mol Joback Calculated Property
Δfus 48.67 kJ/mol Joback Calculated Property
Δvap 79.88 kJ/mol Joback Calculated Property
logPoct/wat 5.818 Crippen Calculated Property
Pc 1023.34 kPa Joback Calculated Property
Tboil 831.58 K Joback Calculated Property
Tc 1019.89 K Joback Calculated Property
Tfus 440.75 K Joback Calculated Property
Vc 1.248 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1031.20 J/mol×K 831.58 Joback Calculated Property
η 0.0000387 Pa×s 831.58 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, 3-hexyl isobutyl ester. Sebacic acid, 3-heptyl isobutyl ester. Sebacic acid, isobutyl 4-octyl ester. Pimelic acid, isobutyl 4-octyl ester. Sebacic acid, isobutyl oct-3-yl ester. Adipic acid, 4-heptyl isobutyl ester. Sebacic acid, di(4-heptyl) ester. Sebacic acid, butyl 4-heptyl ester. Sebacic acid, 4-heptyl propyl ester. Sebacic acid, dodecyl 4-heptyl ester. Sebacic acid, decyl 4-heptyl ester. Sebacic acid, 4-heptyl nonyl ester. Sebacic acid, 4-heptyl octyl ester. Sebacic acid, 4-heptyl pentadecyl ester. Sebacic acid, 4-heptyl hexyl ester.

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