Chemical Properties of Malonic acid, 3-hexyl isobutyl ester

Malonic acid, 3-hexyl isobutyl ester

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InChI
InChI=1S/C13H24O4/c1-5-7-11(6-2)17-13(15)8-12(14)16-9-10(3)4/h10-11H,5-9H2,1-4H3
InChI Key
LQGDXHGKUZVOFD-UHFFFAOYSA-N
Formula
C13H24O4
SMILES
CCCC(CC)OC(=O)CC(=O)OCC(C)C
Molecular Weight1
244.33
Sources

Physical Properties

Property Value Unit Source
Δf -414.14 kJ/mol Joback Calculated Property
Δfgas -811.81 kJ/mol Joback Calculated Property
Δfus 27.95 kJ/mol Joback Calculated Property
Δvap 62.07 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 1798.51 kPa Joback Calculated Property
Tboil 648.54 K Joback Calculated Property
Tc 830.39 K Joback Calculated Property
Tfus 350.59 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 569.26 J/mol×K 648.54 Joback Calculated Property
η 0.00 Pa×s 648.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH2- 5
-CH3 4
>C=O (nonring) 2

Similar Compounds

Malonic acid, isobutyl 4-heptyl ester. Malonic acid, 3-hexyl propyl ester. Malonic acid, di(3-hexyl) ester. Malonic acid, butyl 3-hexyl ester. Malonic acid, ethyl 3-hexyl ester. Malonic acid, 3-heptyl isobutyl ester. Malonic acid, 4-heptyl propyl ester. Malonic acid, butyl 4-heptyl ester. Malonic acid, di(4-heptyl) ester. Malonic acid, ethyl 4-heptyl ester. Malonic acid, hexyl 3-hexyl ester. Malonic acid, 2-hexyl isobutyl ester. Malonic acid, 4-heptyl pentyl ester. Malonic acid, 3-hexyl isohexyl ester. Malonic acid, 3-hexyl tridecyl ester.

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