Chemical Properties of Dimethylmalonic acid, isohexyl 3-methylbutyl ester

Dimethylmalonic acid, isohexyl 3-methylbutyl ester

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InChI
InChI=1S/C16H30O4/c1-12(2)8-7-10-19-14(17)16(5,6)15(18)20-11-9-13(3)4/h12-13H,7-11H2,1-6H3
InChI Key
CKGBPYWHBQGZGV-UHFFFAOYSA-N
Formula
C16H30O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)OCCC(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 3.58 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
-O- (nonring) 2
>CH- 2
-CH3 6
-CH2- 5
>C< 1
>C=O (nonring) 2

Similar Compounds

Dimethylmalonic acid, isohexyl pentyl ester. Dimethylmalonic acid, butyl isohexyl ester. Dimethylmalonic acid, diisohexyl ester. Dimethylmalonic acid, ethyl isohexyl ester. Dimethylmalonic acid, isobutyl isohexyl ester. Dimethylmalonic acid, hexyl isohexyl ester. Dimethylmalonic acid, hexyl 3-methylbutyl ester. Dimethylmalonic acid, isohexyl neopentyl ester. Dimethylmalonic acid, di(3-methylbutyl) ester. Dimethylmalonic acid, butyl 3-methylbutyl ester. Dimethylmalonic acid, heptyl 3-methylbutyl ester. Dimethylmalonic acid, heptyl isohexyl ester. Dimethylmalonic acid, dodecyl isohexyl ester. Dimethylmalonic acid, heptadecyl isohexyl ester. Dimethylmalonic acid, hexadecyl 3-methylbutyl ester.

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