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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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