Chemical Properties of 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (CAS 31499-72-6)

2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3
InChI Key
JHJCHCSUEGPIGE-UHFFFAOYSA-N
Formula
C13H22O
SMILES
CC(=O)CCC1C(C)=CCCC1(C)C
Molecular Weight1
194.31
CAS
31499-72-6
Other Names
  • 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone
  • Dihydro-«alpha»-ionone
  • 2',2''-Dihydro-«alpha»-ionone
  • «alpha»-Dihydroionone
  • «alpha»-7,8-Dihydroionone
  • 7,8-Dihydro-.alpha.-ionone
  • 49749-39-5
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-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 -38.76 kJ/mol Joback Calculated Property
Δfgas -328.70 kJ/mol Joback Calculated Property
Δfus 18.47 kJ/mol Joback Calculated Property
Δvap 51.20 kJ/mol Joback Calculated Property
log10WS -3.81 Crippen Calculated Property
logPoct/wat 3.738 Crippen Calculated Property
McVol 180.440 ml/mol McGowan Calculated Property
Pc 2133.46 kPa Joback Calculated Property
Inp [1406.00; 1437.00]   Show Hide
Inp 1437.00 NIST
Inp 1406.00 NIST
Inp 1406.00 NIST
Inp 1425.00 NIST
Inp 1406.00 NIST
I [1811.00; 1854.00]   Show Hide
I 1854.00 NIST
I 1811.00 NIST
I 1854.00 NIST
Tboil 569.97 K Joback Calculated Property
Tc 778.76 K Joback Calculated Property
Tfus 326.52 K Joback Calculated Property
Vc 0.685 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [457.48; 558.07] J/mol×K [569.97; 778.76] Show Hide
Cp,gas 457.48 J/mol×K 569.97 Joback Calculated Property
Cp,gas 476.52 J/mol×K 604.77 Joback Calculated Property
Cp,gas 494.51 J/mol×K 639.57 Joback Calculated Property
Cp,gas 511.57 J/mol×K 674.37 Joback Calculated Property
Cp,gas 527.78 J/mol×K 709.16 Joback Calculated Property
Cp,gas 543.25 J/mol×K 743.96 Joback Calculated Property
Cp,gas 558.07 J/mol×K 778.76 Joback Calculated Property

Similar Compounds

(+)-(5S,10S)-3,4,4aR,7,8,8aR-Hexahydro-5,8a-dimethylnaphthalen-2(1H)-one. dihydromethylionone. Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a, 8-dimethyl-2-[1-methylethyl]-. 5«alpha»-Stigmast-7-en-3-one. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-. Cholest-7-en-3-one, (5«alpha»)-. (+)-3,4,4aR,7,8,8aR-hexahydro5,8a-dimethyl-naphthalen-2(1H)-one. 7-epi-«alpha»-Selinene. Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-. 7-epi--Selinene. Selina-4,11-diene. Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2«alpha»,4a«alpha»,8a«beta»)]-. 5,10-di-epi-«alpha»-Selinene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Find more compounds similar to 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-.

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.