Chemical Properties of Sebacic acid, isobutyl oct-3-yl ester

Sebacic acid, isobutyl oct-3-yl ester

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InChI
InChI=1S/C22H42O4/c1-5-7-12-15-20(6-2)26-22(24)17-14-11-9-8-10-13-16-21(23)25-18-19(3)4/h19-20H,5-18H2,1-4H3
InChI Key
LTFRTPCNJDUBQY-UHFFFAOYSA-N
Formula
C22H42O4
SMILES
CCCCCC(CC)OC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
370.57
Sources

Physical Properties

Property Value Unit Source
Δf -338.36 kJ/mol Joback Calculated Property
Δfgas -997.57 kJ/mol Joback Calculated Property
Δfus 51.26 kJ/mol Joback Calculated Property
Δvap 82.10 kJ/mol Joback Calculated Property
logPoct/wat 6.21 Crippen Calculated Property
Pc 963.27 kPa Joback Calculated Property
Tboil 854.46 K Joback Calculated Property
Tc 1046.57 K Joback Calculated Property
Tfus 452.02 K Joback Calculated Property
Vc 1.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1092.98 J/mol×K 854.46 Joback Calculated Property
η 0.00 Pa×s 854.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH2- 14
>C=O (nonring) 2
-CH3 4

Similar Compounds

Pimelic acid, isobutyl 4-octyl ester. Sebacic acid, 3-heptyl isobutyl ester. Sebacic acid, isobutyl 4-octyl ester. Sebacic acid, 4-heptyl isobutyl ester. Sebacic acid, 3-hexyl isobutyl ester. Sebacic acid, oct-3-yl tridecyl ester. Sebacic acid, dodecyl oct-3-yl ester. Sebacic acid, heptadecyl oct-3-yl ester. Sebacic acid, nonyl oct-3-yl ester. Sebacic acid, butyl oct-3-yl ester. 10-Oxahexadecanolide. Sebacic acid, oct-3-yl propyl ester. Sebacic acid, octyl oct-3-yl ester. Mono-2-ethyl hexyl sebacate. Sebacic acid, di(oct-3-yl) ester.

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