Chemical Properties of Malonic acid, butyl 3-methylpentyl ester

Malonic acid, butyl 3-methylpentyl ester

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InChI
InChI=1S/C13H24O4/c1-4-6-8-16-12(14)10-13(15)17-9-7-11(3)5-2/h11H,4-10H2,1-3H3
InChI Key
XRUMCSJAFBLGRJ-UHFFFAOYSA-N
Formula
C13H24O4
SMILES
CCCCOC(=O)CC(=O)OCCC(C)CC
Molecular Weight1
244.33
Sources

Physical Properties

Property Value Unit Source
Δf -411.70 kJ/mol Joback Calculated Property
Δfgas -806.53 kJ/mol Joback Calculated Property
Δfus 31.48 kJ/mol Joback Calculated Property
Δvap 62.46 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 1786.37 kPa Joback Calculated Property
Tboil 648.98 K Joback Calculated Property
Tc 828.08 K Joback Calculated Property
Tfus 365.59 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 568.82 J/mol×K 648.98 Joback Calculated Property
η 0.00 Pa×s 648.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH2- 7
>C=O (nonring) 2
-CH3 3

Similar Compounds

Malonic acid, 3-methylpentyl pentyl ester. Malonic acid, di(3-methylpentyl) ester. Malonic acid, 3-methylpentyl propyl 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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