Chemical Properties of Adipic acid, 3,3-dimethylbut-2-yl nonyl ester

Adipic acid, 3,3-dimethylbut-2-yl nonyl ester

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InChI
InChI=1S/C21H40O4/c1-6-7-8-9-10-11-14-17-24-19(22)15-12-13-16-20(23)25-18(2)21(3,4)5/h18H,6-17H2,1-5H3
InChI Key
POPSTMBQVPPQIG-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CCCCCCCCCOC(=O)CCCCC(=O)OC(C)C(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 5.82 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
-O- (nonring) 2
>CH- 1
-CH3 5
-CH2- 12
>C< 1
>C=O (nonring) 2

Similar Compounds

Adipic acid, 3,3-dimethylbut-2-yl hexadecyl ester. Adipic acid, 3,3-dimethylbut-2-yl dodecyl ester. Adipic acid, 3,3-dimethylbut-2-yl tetradecyl ester. Adipic acid, 3,3-dimethylbut-2-yl octadecyl ester. Adipic acid, 3,3-dimethylbut-2-yl heptadecyl ester. Adipic acid, 3,3-dimethylbut-2-yl octyl ester. Adipic acid, 3,3-dimethylbut-2-yl eicosyl ester. Adipic acid, 3,3-dimethylbut-2-yl undecyl ester. Adipic acid, decyl 3,3-dimethylbut-2-yl ester. Adipic acid, 3,3-dimethylbut-2-yl pentadecyl ester. Adipic acid, 3,3-dimethylbut-2-yl heptyl ester. Adipic acid, 3,3-dimethylbut-2-yl hexyl ester. Adipic acid, 3,3-dimethylbut-2-yl pentyl ester. Sebacic acid, 3,3-dimethylbut-2-yl heptyl ester. Sebacic acid, 3,3-dimethylbut-2-yl pentyl ester.

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