Chemical Properties of Malonic acid, isobutyl pentyl ester

Malonic acid, isobutyl pentyl ester

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InChI
InChI=1S/C12H22O4/c1-4-5-6-7-15-11(13)8-12(14)16-9-10(2)3/h10H,4-9H2,1-3H3
InChI Key
FIDXGBBKDVTUQJ-UHFFFAOYSA-N
Formula
C12H22O4
SMILES
CCCCCOC(=O)CC(=O)OCC(C)C
Molecular Weight1
230.30
Sources

Physical Properties

Property Value Unit Source
Δf -420.12 kJ/mol Joback Calculated Property
Δfgas -785.89 kJ/mol Joback Calculated Property
Δfus 28.89 kJ/mol Joback Calculated Property
Δvap 60.23 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 1940.65 kPa Joback Calculated Property
Tboil 626.10 K Joback Calculated Property
Tc 806.33 K Joback Calculated Property
Tfus 354.32 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 516.38 J/mol×K 626.1 Joback Calculated Property
η 0.00 Pa×s 626.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 6
>C=O (nonring) 2
-CH3 3

Similar Compounds

Malonic acid, hexyl isobutyl ester. Malonic acid, isobutyl nonyl ester. Malonic acid, heptadecyl isobutyl ester. Malonic acid, isobutyl undecyl ester. Malonic acid, isobutyl octyl ester. Malonic acid, isobutyl tetradecyl ester. Malonic acid, isobutyl tridecyl ester. Malonic acid, decyl isobutyl ester. Malonic acid, eicosyl isobutyl ester. Malonic acid, isobutyl octadecyl ester. Malonic acid, isobutyl pentadecyl ester. Malonic acid, dodecyl isobutyl ester. Malonic acid, hexadecyl isobutyl ester. Malonic acid, isobutyl 3-methylpentyl ester. Propanedioic acid, dipentyl ester.

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