Chemical Properties of .gamma.-Methylionone (CAS 27417-37-4)

.gamma.-Methylionone

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InChI
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,13H,2,5-7,10H2,1,3-4H3/b9-8+
InChI Key
VBPVRSYPVFNWFV-CMDGGOBGSA-N
Formula
C14H22O
SMILES
C=C1CCCC(C)(C)C1C=CC(=O)CC
Molecular Weight1
206.32
CAS
27417-37-4
Other Names
  • 4-(2,2-dimethyl-6-methylenecyclohexyl)but-3-en-2-one, monomethyl derivative
Sources

Physical Properties

Property Value Unit Source
Δf 82.63 kJ/mol Joback Calculated Property
Δfgas -194.19 kJ/mol Joback Calculated Property
Δfus 19.27 kJ/mol Joback Calculated Property
Δvap 52.59 kJ/mol Joback Calculated Property
logPoct/wat 3.90 Crippen Calculated Property
Pc 2045.61 kPa Joback Calculated Property
Tboil 592.03 K Joback Calculated Property
Tc 805.16 K Joback Calculated Property
Tfus 333.11 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 488.23 J/mol×K 592.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-. «gamma»-Irone. (E)-15,16-Dinorlabda-8(17),11-dien-13-one. Methylionone 4. Methyl ionone 3. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. «alpha»-Ionone. «alpha»-Ionone. Ionone. Allyl «alpha»-ionone. Allyl ionone 2. Allyl ionone 3. Allyl ionone 1. Allyl ionone 4. cis-«alpha»-Irone.

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