Chemical Properties of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)- (CAS 79-76-5)

3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
InChI Key
SFEOKXHPFMOVRM-BQYQJAHWSA-N
Formula
C13H20O
SMILES
C=C1CCCC(C)(C)C1C=CC(C)=O
Molecular Weight1
192.30
CAS
79-76-5
Other Names
  • «gamma»-Ionone
  • 4-(2,2-dimethyl-6-methylenecyclohexyl)-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 74.21 kJ/mol Joback Calculated Property
Δfgas -173.55 kJ/mol Joback Calculated Property
Δfus 16.68 kJ/mol Joback Calculated Property
Δvap 50.36 kJ/mol Joback Calculated Property
log10WS -3.66 Crippen Calculated Property
logPoct/wat 3.514 Crippen Calculated Property
McVol 176.140 ml/mol McGowan Calculated Property
Pc 2235.52 kPa Joback Calculated Property
Inp [1340.00; 1347.00]   Show Hide
Inp 1340.00 NIST
Inp 1340.00 NIST
Inp 1347.00 NIST
Inp 1347.00 NIST
Inp 1340.00 NIST
I [1840.00; 1897.00]   Show Hide
I 1840.00 NIST
I 1846.00 NIST
I 1846.00 NIST
I 1897.00 NIST
I 1882.00 NIST
I 1882.00 NIST
I 1882.00 NIST
Tboil 569.15 K Joback Calculated Property
Tc 785.96 K Joback Calculated Property
Tfus 321.84 K Joback Calculated Property
Vc 0.663 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [437.42; 536.20] J/mol×K [569.15; 785.96] Show Hide
Cp,gas 437.42 J/mol×K 569.15 Joback Calculated Property
Cp,gas 456.28 J/mol×K 605.28 Joback Calculated Property
Cp,gas 474.02 J/mol×K 641.42 Joback Calculated Property
Cp,gas 490.76 J/mol×K 677.55 Joback Calculated Property
Cp,gas 506.62 J/mol×K 713.69 Joback Calculated Property
Cp,gas 521.73 J/mol×K 749.82 Joback Calculated Property
Cp,gas 536.20 J/mol×K 785.96 Joback Calculated Property

Similar Compounds

«gamma»-Irone. (E)-15,16-Dinorlabda-8(17),11-dien-13-one. «gamma»-Methylionone. Ionone. «alpha»-Ionone. «alpha»-Ionone. sibirene. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methylionone 4. Methyl ionone 3. «alpha»-Irone. 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.

Find more compounds similar to 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-.

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.