Chemical Properties of Bicyclo[2.2.2]oct-5-en-2-one (CAS 2220-40-8)

InChI

InChI=1S/C8H10O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-7H,2,4-5H2

InChI Key

UJVGEBBKXJLFPB-UHFFFAOYSA-N

Formula

C8H10O

SMILES

O=C1CC2C=CC1CC2

Molecular Weight¹

122.16

CAS

2220-40-8

Other Names

• Bicyclo[2.2.2]octenone
• Bicyclo[2.2.2]oct-5-ene-2-one

• 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

Property	Value	Unit	Source
ΔfG°	21.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.09	kJ/mol	Joback Calculated Property
ΔfusH°	9.28	kJ/mol	Joback Calculated Property
ΔvapH°	38.11	kJ/mol	Joback Calculated Property
IE	[8.60; 8.96]	eV
IE	8.60	eV	NIST
IE	8.96 ± 0.05	eV	NIST
IE	8.73	eV	NIST
log10WS	-1.61		Crippen Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	99.130	ml/mol	McGowan Calculated Property
Pc	3881.95	kPa	Joback Calculated Property
Tboil	471.44	K	Joback Calculated Property
Tc	703.76	K	Joback Calculated Property
Tfus	277.74	K	Joback Calculated Property
Vc	0.374	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.98; 298.63]	J/mol×K	[471.44; 703.76]
Cp,gas	216.98	J/mol×K	471.44	Joback Calculated Property
Cp,gas	232.91	J/mol×K	510.16	Joback Calculated Property
Cp,gas	247.86	J/mol×K	548.88	Joback Calculated Property
Cp,gas	261.87	J/mol×K	587.60	Joback Calculated Property
Cp,gas	274.97	J/mol×K	626.32	Joback Calculated Property
Cp,gas	287.21	J/mol×K	665.04	Joback Calculated Property
Cp,gas	298.63	J/mol×K	703.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-5-en-2-one.

Sources

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

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