Chemical Properties of Allyl ionone 1

Allyl ionone 1

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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
Other Names
  • Allyl ionone I
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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
log10WS -4.77 Crippen Calculated Property
logPoct/wat 4.460 Crippen Calculated Property
McVol 214.110 ml/mol McGowan Calculated Property
Pc 1796.98 kPa Joback Calculated Property
Inp [1605.00; 1605.00]   Show Hide
Inp 1605.00 NIST
Inp 1605.00 NIST
I [1993.00; 1993.00]   Show Hide
I 1993.00 NIST
I 1993.00 NIST
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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [572.70; 676.26] J/mol×K [639.45; 850.87] Show Hide
Cp,gas 572.70 J/mol×K 639.45 Joback Calculated Property
Cp,gas 592.10 J/mol×K 674.69 Joback Calculated Property
Cp,gas 610.47 J/mol×K 709.92 Joback Calculated Property
Cp,gas 627.94 J/mol×K 745.16 Joback Calculated Property
Cp,gas 644.64 J/mol×K 780.40 Joback Calculated Property
Cp,gas 660.70 J/mol×K 815.63 Joback Calculated Property
Cp,gas 676.26 J/mol×K 850.87 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Allyl ionone 1.

Sources

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