Chemical Properties of Bicyclo[3.2.1]octan-2-one (CAS 5019-82-9)

Bicyclo[3.2.1]octan-2-one

InChI
InChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2
InChI Key
SXFPXZSENHPCSH-UHFFFAOYSA-N
Formula
C8H12O
SMILES
O=C1CCC2CCC1C2
Molecular Weight1
124.18
CAS
5019-82-9
Other Names
  • Bicyclo[3,2,1]octan-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
ΔfH°gas -218.00 ± 8.40 kJ/mol NIST
ΔfusH° 8.06 kJ/mol Joback Calculated Property
ΔvapH° 52.60 kJ/mol Relay (1.0) Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
logPoct/wat 1.766 Crippen Calculated Property
McVol 103.430 ml/mol McGowan Calculated Property
Tboil 470.94 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [232.82; 322.07] J/mol×K [472.48; 702.43] Show Hide
Cp,gas 232.82 J/mol×K 472.48 Joback Calculated Property
Cp,gas 250.12 J/mol×K 510.81 Joback Calculated Property
Cp,gas 266.40 J/mol×K 549.13 Joback Calculated Property
Cp,gas 281.70 J/mol×K 587.46 Joback Calculated Property
Cp,gas 296.05 J/mol×K 625.78 Joback Calculated Property
Cp,gas 309.50 J/mol×K 664.11 Joback Calculated Property
Cp,gas 322.07 J/mol×K 702.43 Joback Calculated Property

Similar Compounds

Bicyclo[3.3.1]nonan-2-one. Bicyclo(3.3.1)nonane-2,6-dione. 2-Norbornanone. Bicyclo[2.2.2]octanone. Bicyclo[3.2.1]octan-8-one. 2-N-BUTYLCYCLOHEXANONE. 2-n-Heptylcyclopentanone. Bicyclo[4.2.1]nonan-9-one. 1-CYCLOHEXYL-1-BUTANONE. Cyclohexanone, 2-propyl-. 1-Propanone, 1-cyclohexyl-. Cyclohexanone, 2-ethyl-. exo-Tricyclo[6,2,1,0(2,6)]decan-8-one. endo-Tricyclo[6,2,1,0(2,6)]decan-8-one. TRICYCLO[5.2.1.0(2,6)]DECAN-8-ONE.

Find more compounds similar to Bicyclo[3.2.1]octan-2-one.

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.
These property values are available through the Cheméo API. A free account gives you an access key.