Chemical Properties of [3.3.3]Propellane, 2,8-bis(methylene)- (CAS 112112-57-9)

InChI

InChI=1S/C13H18/c1-10-4-8-12-6-3-7-13(10,12)11(2)5-9-12/h1-9H2

InChI Key

WOEZXEPTVDIMMB-UHFFFAOYSA-N

Formula

C13H18

SMILES

C=C1CCC23CCCC12C(=C)CC3

Molecular Weight¹

174.28

CAS

112112-57-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.24; 479.25]	J/mol×K	[529.07; 764.26]
Cp,gas	380.24	J/mol×K	529.07	Joback Calculated Property
Cp,gas	399.99	J/mol×K	568.27	Joback Calculated Property
Cp,gas	417.99	J/mol×K	607.47	Joback Calculated Property
Cp,gas	434.57	J/mol×K	646.66	Joback Calculated Property
Cp,gas	450.08	J/mol×K	685.86	Joback Calculated Property
Cp,gas	464.86	J/mol×K	725.06	Joback Calculated Property
Cp,gas	479.25	J/mol×K	764.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to [3.3.3]Propellane, 2,8-bis(methylene)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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