Chemical Properties of 4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione (CAS 139914-54-8)

4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H16O2/c1-6-3-10(12)9-5-8(6)11(13)4-7(9)2/h6-9H,3-5H2,1-2H3
InChI Key
OTBXXMWIANCGFF-UHFFFAOYSA-N
Formula
C11H16O2
SMILES
CC1CC(=O)C2CC1C(=O)CC2C
Molecular Weight1
180.24
CAS
139914-54-8
Other Names
  • 4,8-Dimethylbicyclo[3.3.1]nona-2,6-dione
Sources

Physical Properties

Property Value Unit Source
Δf -133.66 kJ/mol Joback Calculated Property
Δfgas -459.33 kJ/mol Joback Calculated Property
Δfus 15.38 kJ/mol Joback Calculated Property
Δvap 48.30 kJ/mol Joback Calculated Property
IE 9.22 eV NIST
logPoct/wat 1.83 Crippen Calculated Property
Pc 2670.78 kPa Joback Calculated Property
Tboil 603.67 K Joback Calculated Property
Tc 844.01 K Joback Calculated Property
Tfus 367.01 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 411.77 J/mol×K 603.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 2
>CH- (ring) 4
-CH2- (ring) 3
-CH3 2

Similar Compounds

Muurol-5-en-4-one. 2(1H)-Naphthalenone, octahydro-1-methyl-, (1«alpha»,4a«beta»,8a«alpha»)-. 2-ethyl isomenthone. 2(1H)-Naphthalenone, octahydro-3-methyl-, (3«alpha»,4a«beta»,8a«alpha»)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Cyclohexanone, 2-methyl-5-(1-methylethyl)-. Tetrahydrocarvone. trans-2-Isopropyl-4-t-butylcyclohexanone. Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. [1,1'-Bicyclohexyl]-2-one.

Find more compounds similar to 4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione.

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.