Chemical Properties of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)- (CAS 79-76-5)

3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-

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InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
InChI Key
SFEOKXHPFMOVRM-BQYQJAHWSA-N
Formula
C13H20O
SMILES
C=C1CCCC(C)(C)C1C=CC(C)=O
Molecular Weight1
192.30
CAS
79-76-5
Other Names
  • 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
  • «gamma»-Ionone
Sources

Physical Properties

Property Value Unit Source
Δf 74.21 kJ/mol Joback Calculated Property
Δfgas -173.55 kJ/mol Joback Calculated Property
Δfus 16.68 kJ/mol Joback Calculated Property
Δvap 50.36 kJ/mol Joback Calculated Property
logPoct/wat 3.51 Crippen Calculated Property
Pc 2235.52 kPa Joback Calculated Property
Tboil 569.15 K Joback Calculated Property
Tc 785.96 K Joback Calculated Property
Tfus 321.84 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 437.42 J/mol×K 569.15 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.gamma.-Methylionone. «gamma»-Irone. (E)-15,16-Dinorlabda-8(17),11-dien-13-one. «alpha»-Ionone. Ionone. «alpha»-Ionone. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methylionone 4. Methyl ionone 3. trans-«alpha»-Irone. «alpha»-Irone. (E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-. 6-Methyl ionone. cis-«alpha»-Irone. Selina-4(15),6-diene.

Find more compounds similar to 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-.

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