Chemical Properties of Diethylmalonic acid, 3-methylbutyl propyl ester

Diethylmalonic acid, 3-methylbutyl propyl ester

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InChI
InChI=1S/C15H28O4/c1-6-10-18-13(16)15(7-2,8-3)14(17)19-11-9-12(4)5/h12H,6-11H2,1-5H3
InChI Key
LBCMESLETWPRCF-UHFFFAOYSA-N
Formula
C15H28O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCCC(C)C
Molecular Weight1
272.38
Sources

Physical Properties

Property Value Unit Source
Δf -392.02 kJ/mol Joback Calculated Property
Δfgas -856.56 kJ/mol Joback Calculated Property
Δfus 29.24 kJ/mol Joback Calculated Property
Δvap 65.61 kJ/mol Joback Calculated Property
logPoct/wat 3.34 Crippen Calculated Property
Pc 1551.22 kPa Joback Calculated Property
Tboil 691.51 K Joback Calculated Property
Tc 876.12 K Joback Calculated Property
Tfus 390.55 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 680.11 J/mol×K 691.51 Joback Calculated Property
η 0.00 Pa×s 691.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 5
-CH2- 6
>C< 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, di(3-methylbutyl) ester. Diethylmalonic acid, butyl 3-methylbutyl ester. Diethylmalonic acid, ethyl 3-methylbutyl ester. Diethylmalonic acid, 3-methylbutyl pentyl ester. Diethylmalonic acid, isobutyl 3-methylbutyl ester. Diethylmalonic acid, di(3-methylpentyl) ester. Diethylmalonic acid, hexyl 3-methylbutyl ester. Diethylmalonic acid, 2-ethylbutyl propyl ester. Diethylmalonic acid, ethyl 2-ethylbutyl ester. Diethylmalonic acid, di(2-ethylbutyl) ester. Diethylmalonic acid, butyl isobutyl ester. Diethylmalonic acid, isobutyl propyl ester. Diethylmalonic acid, diisobutyl ester. Diethylmalonic acid, dihexyl ester. Diethylmalonic acid, hexyl propyl ester.

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