Chemical Properties of 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)- (CAS 79-70-9)

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-

PDF Excel Molecule Calculator
InChI Key
Molecular Weight1
Other Names
  • «beta»-Irone
  • 6-Methyl-«beta»-ionone
  • «beta»-Methylionone
  • 2-Methyl-«beta»-ionone
  • beta-Irone
  • «beta»-Ionone, 6-methyl-
  • NSC 402758
  • 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
  • 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-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 40.25 kJ/mol Joback Calculated Property
Δfgas -243.59 kJ/mol Joback Calculated Property
Δfus 20.87 kJ/mol Joback Calculated Property
Δvap 54.05 kJ/mol Joback Calculated Property
log10WS -4.08 Crippen Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2021.76 kPa Joback Calculated Property
Inp [1519.00; 1583.40]   Show Hide
Inp 1566.00 NIST
Inp 1519.00 NIST
Inp 1583.40 NIST
Tboil 601.99 K Joback Calculated Property
Tc 817.25 K Joback Calculated Property
Tfus 345.23 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.38; 589.67] J/mol×K [601.99; 817.25] Show Hide
Cp,gas 489.38 J/mol×K 601.99 Joback Calculated Property
Cp,gas 508.25 J/mol×K 637.87 Joback Calculated Property
Cp,gas 526.10 J/mol×K 673.74 Joback Calculated Property
Cp,gas 543.05 J/mol×K 709.62 Joback Calculated Property
Cp,gas 559.21 J/mol×K 745.50 Joback Calculated Property
Cp,gas 574.71 J/mol×K 781.37 Joback Calculated Property
Cp,gas 589.67 J/mol×K 817.25 Joback Calculated Property
ΔvapH 72.10 kJ/mol 310.50 NIST

Similar Compounds

trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. «alpha»-Isoamylionone. Allyl ionone. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Selina 2,4-diene. «alpha»-Pyrovetivene. 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one. (8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene. «beta»-Vetispirene. (5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene. Spirovetiva-1,7(11),10(14)-triene. Stigmastan-3,5,22-trien. B-Ionene.

Find more compounds similar to 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-.


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.