Chemical Properties of Bicyclo[3.3.1]non-3-en-2-one (CAS 10036-12-1)

InChI

InChI=1S/C9H12O/c10-9-5-4-7-2-1-3-8(9)6-7/h4-5,7-8H,1-3,6H2

InChI Key

TUQWWBMBVKVORD-UHFFFAOYSA-N

Formula

C9H12O

SMILES

O=C1C=CC2CCCC1C2

Molecular Weight¹

136.19

CAS

10036-12-1

• ω : Acentric Factor.
• 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	[260.59; 352.84]	J/mol×K	[498.59; 735.98]
Cp,gas	260.59	J/mol×K	498.59	Joback Calculated Property
Cp,gas	278.62	J/mol×K	538.15	Joback Calculated Property
Cp,gas	295.55	J/mol×K	577.72	Joback Calculated Property
Cp,gas	311.40	J/mol×K	617.28	Joback Calculated Property
Cp,gas	326.21	J/mol×K	656.85	Joback Calculated Property
Cp,gas	340.01	J/mol×K	696.41	Joback Calculated Property
Cp,gas	352.84	J/mol×K	735.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.1]non-3-en-2-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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