Chemical Properties of Malonic acid, di(3-hexyl) ester

Malonic acid, di(3-hexyl) ester

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InChI
InChI=1S/C15H28O4/c1-5-9-12(7-3)18-14(16)11-15(17)19-13(8-4)10-6-2/h12-13H,5-11H2,1-4H3
InChI Key
SGNABPSWMXRDCI-UHFFFAOYSA-N
Formula
C15H28O4
SMILES
CCCC(CC)OC(=O)CC(=O)OC(CC)CCC
Molecular Weight1
272.38
Sources

Physical Properties

Property Value Unit Source
Δf -397.30 kJ/mol Joback Calculated Property
Δfgas -853.09 kJ/mol Joback Calculated Property
Δfus 33.13 kJ/mol Joback Calculated Property
Δvap 66.52 kJ/mol Joback Calculated Property
logPoct/wat 3.62 Crippen Calculated Property
Pc 1537.87 kPa Joback Calculated Property
Tboil 694.30 K Joback Calculated Property
Tc 874.56 K Joback Calculated Property
Tfus 373.13 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 678.23 J/mol×K 694.3 Joback Calculated Property
η 0.00 Pa×s 694.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH2- 7
>C=O (nonring) 2
-CH3 4

Similar Compounds

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

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