Chemical Properties of Malonic acid, hexyl 3-hexyl ester

Malonic acid, hexyl 3-hexyl ester

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InChI
InChI=1S/C15H28O4/c1-4-7-8-9-11-18-14(16)12-15(17)19-13(6-3)10-5-2/h13H,4-12H2,1-3H3
InChI Key
TYWNYUUCYPBQQF-UHFFFAOYSA-N
Formula
C15H28O4
SMILES
CCCCCCOC(=O)CC(=O)OC(CC)CCC
Molecular Weight1
272.38
Sources

Physical Properties

Property Value Unit Source
Δf -394.86 kJ/mol Joback Calculated Property
Δfgas -847.81 kJ/mol Joback Calculated Property
Δfus 36.66 kJ/mol Joback Calculated Property
Δvap 66.91 kJ/mol Joback Calculated Property
logPoct/wat 3.62 Crippen Calculated Property
Pc 1528.27 kPa Joback Calculated Property
Tboil 694.74 K Joback Calculated Property
Tc 872.74 K Joback Calculated Property
Tfus 388.13 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 677.76 J/mol×K 694.74 Joback Calculated Property
η 0.00 Pa×s 694.74 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 9
>C=O (nonring) 2
-CH3 3

Similar Compounds

Malonic acid, decyl 3-hexyl ester. Malonic acid, 3-hexyl nonyl ester. Malonic acid, dodecyl 3-hexyl ester. Malonic acid, 3-hexyl tridecyl ester. Malonic acid, 3-hexyl undecyl ester. Malonic acid, 3-hexyl pentadecyl ester. Malonic acid, 4-heptyl undecyl ester. Malonic acid, nonyl 4-heptyl ester. Malonic acid, dodecyl 4-heptyl ester. Malonic acid, decyl 4-heptyl ester. Malonic acid, 4-heptyl pentadecyl ester. Malonic acid, octyl 4-heptyl ester. Dicyclohexyl malonate. Malonic acid, 4-heptyl pentyl ester. Malonic acid, ethyl 3-hexyl ester.

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