Chemical Properties of Acetoin octanoate

Acetoin octanoate

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InChI
InChI=1S/C12H22O3/c1-4-5-6-7-8-9-12(14)15-11(3)10(2)13/h11H,4-9H2,1-3H3
InChI Key
DXTCDFXHMJNZNN-UHFFFAOYSA-N
Formula
C12H22O3
SMILES
CCCCCCCC(=O)OC(C)C(C)=O
Molecular Weight1
214.30
Sources

Physical Properties

Property Value Unit Source
Δf -315.12 kJ/mol Joback Calculated Property
Δfgas -653.67 kJ/mol Joback Calculated Property
Δfus 27.70 kJ/mol Joback Calculated Property
Δvap 57.82 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 1970.05 kPa Joback Calculated Property
Tboil 603.68 K Joback Calculated Property
Tc 784.55 K Joback Calculated Property
Tfus 332.09 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 489.14 J/mol×K 603.68 Joback Calculated Property
η 0.00 Pa×s 603.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 6
>C=O (nonring) 2
-CH3 3

Similar Compounds

Sebacic acid, di(3-oxobut-2-yl) ester. Sebacic acid, 3-oxobut-2-yl propyl ester. Sebacic acid, ethyl 3-oxobut-2-yl ester. Sebacic acid, heptyl 3-oxobut-2-yl ester. Sebacic acid, nonyl 3-oxobut-2-yl ester. Sebacic acid, 3-oxobut-2-yl tridecyl ester. Sebacic acid, octyl 3-oxobut-2-yl ester. Sebacic acid, decyl 3-oxobut-2-yl ester. Sebacic acid, 3-oxobut-2-yl pentyl ester. Sebacic acid, 3-oxobut-2-yl pentadecyl ester. Sebacic acid, dodecyl 3-oxobut-2-yl ester. Sebacic acid, hexyl 3-oxobut-2-yl ester. Sebacic acid, butyl 3-oxobut-2-yl ester. Sebacic acid, 3-oxobut-2-yl undecyl ester. Acetoin hexanoate.

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