Chemical Properties of Methylionone 4

Methylionone 4

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InChI
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3
InChI Key
VPKMGDRERYMTJX-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CCC(=O)C=CC1C(C)=CCCC1(C)C
Molecular Weight1
206.32
Sources

Physical Properties

Property Value Unit Source
Δf 49.88 kJ/mol Joback Calculated Property
Δfgas -232.12 kJ/mol Joback Calculated Property
Δfus 21.26 kJ/mol Joback Calculated Property
Δvap 53.39 kJ/mol Joback Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
Pc 2049.31 kPa Joback Calculated Property
Tboil 597.01 K Joback Calculated Property
Tc 811.30 K Joback Calculated Property
Tfus 332.71 K Joback Calculated Property
Vc 0.722 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 489.29 J/mol×K 597.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methyl ionone 3. «alpha»-Ionone. «alpha»-Ionone. Ionone. Allyl ionone 2. Allyl «alpha»-ionone. Allyl ionone 1. Allyl ionone 4. Allyl ionone 3. 6-Methyl ionone. cis-«alpha»-Irone. (E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-. trans-«alpha»-Irone. «alpha»-Irone.

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