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

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

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InChI
InChI=1S/C16H30O4/c1-12(2)11-19-14(17)9-7-8-10-15(18)20-13(3)16(4,5)6/h12-13H,7-11H2,1-6H3
InChI Key
YIPIGJMQOMHXJF-UHFFFAOYSA-N
Formula
C16H30O4
SMILES
CC(C)COC(=O)CCCCC(=O)OC(C)C(C)(C)C
Molecular Weight1
286.41
Sources

Physical Properties

Property Value Unit Source
Δf -386.04 kJ/mol Joback Calculated Property
Δfgas -882.48 kJ/mol Joback Calculated Property
Δfus 28.31 kJ/mol Joback Calculated Property
Δvap 67.45 kJ/mol Joback Calculated Property
logPoct/wat 3.72 Crippen Calculated Property
Pc 1449.04 kPa Joback Calculated Property
Tboil 713.95 K Joback Calculated Property
Tc 900.32 K Joback Calculated Property
Tfus 386.82 K Joback Calculated Property
Vc 0.96 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 736.65 J/mol×K 713.95 Joback Calculated Property
η 0.00 Pa×s 713.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 5
>C< 1
-CH3 6

Similar Compounds

Adipic acid, 3,3-dimethylbut-2-yl ethyl ester. Adipic acid, 3,3-dimethylbut-2-yl propyl ester. Adipic acid, di(3,3-dimethylbut-2-yl) ester. Adipic acid, butyl 3,3-dimethylbut-2-yl ester. Adipic acid, 3,3-dimethylbut-2-yl hexyl ester. Adipic acid, 3,3-dimethylbut-2-yl pentyl ester. Adipic acid, 3,3-dimethylbut-2-yl heptyl 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 heptadecyl ester. Adipic acid, 3,3-dimethylbut-2-yl isohexyl ester. Adipic acid, 3,3-dimethylbut-2-yl hexadecyl ester. Adipic acid, decyl 3,3-dimethylbut-2-yl ester. Adipic acid, 3,3-dimethylbut-2-yl octyl ester. Adipic acid, 3,3-dimethylbut-2-yl eicosyl ester.

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