Chemical Properties of Malonic acid, 3-methylpentyl propyl ester

Malonic acid, 3-methylpentyl propyl ester

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InChI
InChI=1S/C12H22O4/c1-4-7-15-11(13)9-12(14)16-8-6-10(3)5-2/h10H,4-9H2,1-3H3
InChI Key
BOZJFUAZZNSSNN-UHFFFAOYSA-N
Formula
C12H22O4
SMILES
CCCOC(=O)CC(=O)OCCC(C)CC
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, butyl 3-methylpentyl ester. Malonic acid, 3-methylpentyl pentyl ester. Malonic acid, di(3-methylpentyl) ester. Malonic acid, hexyl 3-methylpentyl ester. Malonic acid, isohexyl 3-methylpentyl ester. Malonic acid, heptyl 3-methylpentyl ester. Malonic acid, isobutyl 3-methylpentyl ester. Malonic acid, 3-methylpentyl tridecyl ester. Malonic acid, 3-methylpentyl pentadecyl ester. Malonic acid, decyl 3-methylpentyl ester. Malonic acid, 3-methylpentyl nonyl ester. Malonic acid, 3-methylpentyl octyl ester. Malonic acid, 3-methylpentyl undecyl ester. Malonic acid, dodecyl 3-methylpentyl ester. Malonic acid, hexyl 3-methylbutyl ester.

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