Chemical Properties of Allyl «alpha»-ionone (CAS 79-78-7)

Allyl «alpha»-ionone

PDF Excel Molecule Calculator
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
CAS
79-78-7
Other Names
  • 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-one
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 [1664.00; 1664.50]   Show Hide
Inp 1664.00 NIST
Inp 1664.50 NIST
Inp 1664.00 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 ionone 1. 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 «alpha»-ionone.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.