Chemical Properties of [3.3.3]Propellane, 2-methylene-

[3.3.3]Propellane, 2-methylene-

InChI
InChI=1S/C12H18/c1-10-4-9-11-5-2-7-12(10,11)8-3-6-11/h1-9H2
InChI Key
JRBVAAGYBLRKMS-UHFFFAOYSA-N
Formula
C12H18
SMILES
C=C1CCC23CCCC12CCC3
Molecular Weight1
162.28
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
ΔfusH° 2.22 kJ/mol Joback Calculated Property
IE 9.00 eV NIST
logPoct/wat 3.677 Crippen Calculated Property
McVol 143.060 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [166.32; 557.28] 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-2.52620e+02
Coefficient B2.07010e+00
Coefficient C-2.22500e-03
Coefficient D9.64800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.32 J/mol×K 273.00 Calculated Property
Cp,gas 243.98 J/mol×K 353.78 Calculated Property
Cp,gas 305.96 J/mol×K 434.56 Calculated Property
Cp,gas 355.32 J/mol×K 515.33 Calculated Property
Cp,gas 395.11 J/mol×K 596.11 Calculated Property
Cp,gas 428.38 J/mol×K 676.89 Calculated Property
Cp,gas 458.18 J/mol×K 757.67 Calculated Property
Cp,gas 487.56 J/mol×K 838.44 Calculated Property
Cp,gas 519.58 J/mol×K 919.22 Calculated Property
Cp,gas 557.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

[3.3.3]Propellane, 2,8-bis(methylene)-. Spiro[4.4]nonane, 1-methylene-. «beta»-Neoclovene. 2-Methylenebornane. «beta»-Isocomene. Pethybrene. (1R,3aS,5aS,8aR)-1,3a,5a-Trimethyl-4-methylenedecahydrocyclopenta[c]pentalene. 1H-3a,7-Methanoazulene, octahydro-1,9,9-trimethyl-4-methylene-, (1«alpha»,3a«alpha»,7«alpha»,8a«beta»)-. [3.3.3]Propellane, 2,8,9-tris(methylene)-. .beta.-PANASINSENE. «beta»-Barbatene. Ventricos-7(13)-ene. (-)-Myltayl-8(12)-ene. Myltayl-8(12)-ene. (-)-Myltayl-4(12)-ene.

Find more compounds similar to [3.3.3]Propellane, 2-methylene-.

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.