Chemical Properties of Sebacic acid, di(3-methylbutyl) ester

Sebacic acid, di(3-methylbutyl) ester

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InChI
InChI=1S/C20H38O4/c1-17(2)13-15-23-19(21)11-9-7-5-6-8-10-12-20(22)24-16-14-18(3)4/h17-18H,5-16H2,1-4H3
InChI Key
AZTORLUDPYUCLK-UHFFFAOYSA-N
Formula
C20H38O4
SMILES
CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C
Molecular Weight1
342.51
Sources

Physical Properties

Property Value Unit Source
Δf -355.20 kJ/mol Joback Calculated Property
Δfgas -956.29 kJ/mol Joback Calculated Property
Δfus 46.08 kJ/mol Joback Calculated Property
Δvap 77.65 kJ/mol Joback Calculated Property
logPoct/wat 5.29 Crippen Calculated Property
Pc 1089.22 kPa Joback Calculated Property
Tboil 808.70 K Joback Calculated Property
Tc 994.02 K Joback Calculated Property
Tfus 429.48 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 970.14 J/mol×K 808.7 Joback Calculated Property
η 0.00 Pa×s 808.7 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Pentadecanoic acid, 3-methylbutyl ester. Isoamyl undecanoate. 3-methylbutyl hexadecanoate. Sebacic acid, 3-methylbutyl propyl ester. Octanoic acid, 3-methylbutyl ester. isopentyl stearate. Nonanoic acid, 3-methylbutyl ester. Isoamyl laurate. 3-methylbutyl tetradecanoate. Sebacic acid, butyl 3-methylbutyl ester. Heptanoic acid, 3-methylbutyl ester. Pimelic acid, di(3-methylbutyl) ester. Pimelic acid, 3-methylbutyl propyl ester. Pimelic acid, butyl 3-methylbutyl ester. Pimelic acid, ethyl 3-methylbutyl ester.

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