Chemical Properties of Isoacorone (CAS 6168-64-5)

Isoacorone

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InChI
InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14+,15+/m0/s1
InChI Key
AGUISGUERLMHFF-RBDSIQFVSA-N
Formula
C15H24O2
SMILES
CC(C)C1C(=O)CC(C)C12CCC(C)C(=O)C2
Molecular Weight1
236.35
CAS
6168-64-5
Other Names
  • [1R-(1«alpha»,4«beta»,5«beta»,8S*)]-1-isopropyl-4,8-dimethylspiro[4.5]decane-2,7-dione
Sources

Physical Properties

Property Value Unit Source
Δf -120.01 kJ/mol Joback Calculated Property
Δfgas -538.09 kJ/mol Joback Calculated Property
Δfus 13.82 kJ/mol Joback Calculated Property
Δvap 55.83 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 1991.21 kPa Joback Calculated Property
Tboil 699.26 K Joback Calculated Property
Tc 941.42 K Joback Calculated Property
Tfus 417.47 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 628.74 J/mol×K 699.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 4
>C< (ring) 1
>C=O (ring) 2
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

Acorone. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1R)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1S)-. Isocamphone. Cholestan-6-one, (5.alpha.)-. 5«alpha»-Dihydroprogesterone. Pregnane-3,20-dione, (5«beta»)-. 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-. trans-Isolongifolanone. 15-nor-Funebran-3-one. Isolongifolanone. Bicyclo[2.2.1]heptan-2-one, 5,5,6-trimethyl-, endo-. 6,6-Dimethyl-2-methylenebicyclo[2.2.1]heptan-3-one. 9-Cedranone. Cedranone.

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