Chemical Properties of Sebacic acid, butyl 3-oxobut-2-yl ester

Sebacic acid, butyl 3-oxobut-2-yl ester

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InChI
InChI=1S/C18H32O5/c1-4-5-14-22-17(20)12-10-8-6-7-9-11-13-18(21)23-16(3)15(2)19/h16H,4-14H2,1-3H3
InChI Key
UYFJLCZXAVBUCI-UHFFFAOYSA-N
Formula
C18H32O5
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)=O
Molecular Weight1
328.44
Sources

Physical Properties

Property Value Unit Source
Δf -498.52 kJ/mol Joback Calculated Property
Δfgas -1022.31 kJ/mol Joback Calculated Property
Δfus 46.03 kJ/mol Joback Calculated Property
Δvap 80.33 kJ/mol Joback Calculated Property
logPoct/wat 3.97 Crippen Calculated Property
Pc 1291.14 kPa Joback Calculated Property
Tboil 817.25 K Joback Calculated Property
Tc 1006.29 K Joback Calculated Property
Tfus 471.87 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 872.85 J/mol×K 817.25 Joback Calculated Property
η 0.00 Pa×s 817.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 11
>C=O (nonring) 3
-CH3 3

Similar Compounds

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

Find more compounds similar to Sebacic acid, butyl 3-oxobut-2-yl ester.

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