Chemical Properties of Dimethylmalonic acid, dodecyl isobutyl ester

Dimethylmalonic acid, dodecyl isobutyl ester

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

Similar Compounds

Dimethylmalonic acid, isobutyl octyl ester. Dimethylmalonic acid, heptadecyl isobutyl ester. Dimethylmalonic acid, isobutyl tetradecyl ester. Dimethylmalonic acid, isobutyl nonyl ester. Dimethylmalonic acid, isobutyl octadecyl ester. Dimethylmalonic acid, decyl isobutyl ester. Dimethylmalonic acid, isobutyl undecyl ester. Dimethylmalonic acid, hexadecyl isobutyl ester. Dimethylmalonic acid, isobutyl tridecyl ester. Dimethylmalonic acid, isobutyl pentadecyl ester. Dimethylmalonic acid, heptyl isobutyl ester. Dimethylmalonic acid, neopentyl pentadecyl ester. Dimethylmalonic acid, neopentyl undecyl ester. Dimethylmalonic acid, neopentyl tridecyl ester. Dimethylmalonic acid, hexadecyl neopentyl ester.

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