Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl isohexyl ester

Sebacic acid, 2,4-dimethylpent-3-yl isohexyl ester

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InChI
InChI=1S/C23H44O4/c1-18(2)14-13-17-26-21(24)15-11-9-7-8-10-12-16-22(25)27-23(19(3)4)20(5)6/h18-20,23H,7-17H2,1-6H3
InChI Key
DUCOCKOBWLTADG-UHFFFAOYSA-N
Formula
C23H44O4
SMILES
CC(C)CCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C
Molecular Weight1
384.59
Sources

Physical Properties

Property Value Unit Source
Δf -334.82 kJ/mol Joback Calculated Property
Δfgas -1028.77 kJ/mol Joback Calculated Property
Δfus 46.81 kJ/mol Joback Calculated Property
Δvap 83.55 kJ/mol Joback Calculated Property
logPoct/wat 6.31 Crippen Calculated Property
Pc 917.16 kPa Joback Calculated Property
Tboil 876.46 K Joback Calculated Property
Tc 1073.32 K Joback Calculated Property
Tfus 433.29 K Joback Calculated Property
Vc 1.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1156.28 J/mol×K 876.46 Joback Calculated Property
η 0.00 Pa×s 876.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 4
-O- (nonring) 2
-CH2- 11
>C=O (nonring) 2
-CH3 6

Similar Compounds

Sebacic acid, 2,4-dimethylpent-3-yl hexadecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl nonyl ester. Sebacic acid, 2,4-dimethylpent-3-yl hexyl ester. Sebacic acid, 2,4-dimethylpent-3-yl heptyl ester. Sebacic acid, 2,4-dimethylpent-3-yl undecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl octyl ester. Sebacic acid, 2,4-dimethylpent-3-yl tridecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl dodecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl pentyl ester. Sebacic acid, isohexyl 2-methylpent-3-yl ester. Sebacic acid, butyl 2,4-dimethylpent-3-yl ester. Sebacic acid, 2-methylpent-3-yl tetradecyl ester. Sebacic acid, 2-methylpent-3-yl pentyl ester.

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