Chemical Properties of Allyl ionone 4

Allyl ionone 4

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InChI
InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
InChI Key
FXCYGAGBPZQRJE-ZHACJKMWSA-N
Formula
C16H24O
SMILES
C=CCCC(=O)C=CC1C(C)=CCCC1(C)C
Molecular Weight1
232.36
Sources

Physical Properties

Property Value Unit Source
Δf 154.56 kJ/mol Joback Calculated Property
Δfgas -147.97 kJ/mol Joback Calculated Property
Δfus 25.16 kJ/mol Joback Calculated Property
Δvap 57.17 kJ/mol Joback Calculated Property
logPoct/wat 4.460 Crippen Calculated Property
Pc 1796.98 kPa Joback Calculated Property
Tboil 639.45 K Joback Calculated Property
Tc 850.87 K Joback Calculated Property
Tfus 353.49 K Joback Calculated Property
Vc 0.815 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 572.70 J/mol×K 639.45 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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