Chemical Properties of [3.3.3]Propellane-2,8-dione (CAS 112138-34-8)

InChI

InChI=1S/C11H14O2/c12-8-2-6-10-4-1-5-11(8,10)9(13)3-7-10/h1-7H2

InChI Key

AJSCTGYMIJHROB-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

O=C1CCC23CCCC12C(=O)CC3

Molecular Weight¹

178.23

CAS

112138-34-8

• 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	[385.71; 489.26]	J/mol×K	[620.63; 891.47]
Cp,gas	385.71	J/mol×K	620.63	Joback Calculated Property
Cp,gas	404.28	J/mol×K	665.77	Joback Calculated Property
Cp,gas	421.77	J/mol×K	710.91	Joback Calculated Property
Cp,gas	438.59	J/mol×K	756.05	Joback Calculated Property
Cp,gas	455.17	J/mol×K	801.19	Joback Calculated Property
Cp,gas	471.92	J/mol×K	846.33	Joback Calculated Property
Cp,gas	489.26	J/mol×K	891.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to [3.3.3]Propellane-2,8-dione.

Sources

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

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