Chemical Properties of Sebacic acid, isohexyl neopentyl ester

Sebacic acid, isohexyl neopentyl ester

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InChI
InChI=1S/C21H40O4/c1-18(2)13-12-16-24-19(22)14-10-8-6-7-9-11-15-20(23)25-17-21(3,4)5/h18H,6-17H2,1-5H3
InChI Key
UEERXWSNUBPEGV-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CC(C)CCCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C
Molecular Weight1
356.54
Sources

Physical Properties

Property Value Unit Source
Δf -341.50 kJ/mol Joback Calculated Property
Δfgas -980.40 kJ/mol Joback Calculated Property
Δfus 44.78 kJ/mol Joback Calculated Property
Δvap 78.97 kJ/mol Joback Calculated Property
logPoct/wat 5.68 Crippen Calculated Property
Pc 1030.59 kPa Joback Calculated Property
Tboil 828.79 K Joback Calculated Property
Tc 1018.11 K Joback Calculated Property
Tfus 458.17 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1031.48 J/mol×K 828.79 Joback Calculated Property
η 0.00 Pa×s 828.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 12
>C< 1
-CH3 5

Similar Compounds

Sebacic acid, decyl neopentyl ester. Sebacic acid, neopentyl pentadecyl ester. Sebacic acid, neopentyl undecyl ester. Sebacic acid, neopentyl octyl ester. Sebacic acid, hexadecyl neopentyl ester. Sebacic acid, neopentyl tetradecyl ester. Sebacic acid, neopentyl pentyl ester. Sebacic acid, neopentyl tridecyl ester. Sebacic acid, heptadecyl neopentyl ester. Sebacic acid, heptyl neopentyl ester. Sebacic acid, neopentyl nonyl ester. Sebacic acid, dodecyl neopentyl ester. Sebacic acid, isobutyl isohexyl ester. Sebacic acid, isobutyl neopentyl ester. Sebacic acid, neopentyl propyl ester.

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