Chemical Properties of trans-Bicyclo[3.3.0]-octan-2-one

trans-Bicyclo[3.3.0]-octan-2-one

InChI
InChI=1S/C8H12O/c9-8-5-4-6-2-1-3-7(6)8/h6-7H,1-5H2/t6-,7+/m0/s1
InChI Key
NZTVVUIIJPWANB-RQJHMYQMSA-N
Formula
C8H12O
SMILES
O=C1CC[C@@H]2CCC[C@@H]12
Molecular Weight1
124.18
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
ΔcH°liquid -4602.80 ± 4.60 kJ/mol NIST
ΔfH°gas -207.00 ± 5.40 kJ/mol NIST
ΔfH°liquid -260.00 ± 4.60 kJ/mol NIST
ΔfusH° 8.06 kJ/mol Joback Calculated Property
ΔvapH° 54.00 ± 2.00 kJ/mol NIST
IE 9.15 eV Relay (1.0) Calculated Property
logPoct/wat 1.766 Crippen Calculated Property
McVol 103.430 ml/mol McGowan Calculated Property
Tc 762.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [124.89; 394.22] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.86800e+01
Coefficient B8.78100e-01
Coefficient C-5.15000e-04
Coefficient D1.09800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 124.89 J/mol×K 273.00 Calculated Property
Cp,gas 172.38 J/mol×K 353.78 Calculated Property
Cp,gas 214.66 J/mol×K 434.56 Calculated Property
Cp,gas 252.09 J/mol×K 515.33 Calculated Property
Cp,gas 285.02 J/mol×K 596.11 Calculated Property
Cp,gas 313.79 J/mol×K 676.89 Calculated Property
Cp,gas 338.74 J/mol×K 757.67 Calculated Property
Cp,gas 360.24 J/mol×K 838.44 Calculated Property
Cp,gas 378.61 J/mol×K 919.22 Calculated Property
Cp,gas 394.22 J/mol×K 1000.00 Calculated Property

Similar Compounds

cis-Bicyclo[3.3.0]-octan-2-one. 1H-Inden-1-one, octahydro-, cis-. 1H-Inden-1-one, octahydro-, trans-. 1H-Inden-1-one, octahydro-. [1,1'-Bicyclopentyl]-2-one. 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. 1-Decalone (cis-trans). 1(2H)-Naphthalenone, octahydro-, trans-. [1,1'-Bicyclohexyl]-2-one. 2-hexylcyclohexan-1-one. Cyclopentanone, 2-(1-methylpropyl)-. 1,4:5,8-Dimethanonaphthalen-9-one, (1α,4α,4aα,5β,8β,8aα)-. (Z)-8-Methyl-1-hydrindanone.

Find more compounds similar to trans-Bicyclo[3.3.0]-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.