Chemical Properties of Bicyclo[2.2.2]octanone (CAS 2716-23-6)

InChI

InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2

InChI Key

VEPYQCZRVLNDBC-UHFFFAOYSA-N

Formula

C8H12O

SMILES

O=C1CC2CCC1CC2

Molecular Weight¹

124.18

CAS

2716-23-6

Other Names

• Bicyclo[2.2.2]octan-2-one

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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
ΔcH°liquid	-4589.00	kJ/mol	NIST
ΔfG°	-8.81	kJ/mol	Joback Calculated Property
ΔfH°gas	[-222.00; -218.00]	kJ/mol
ΔfH°gas	-218.00 ± 8.40	kJ/mol	NIST
ΔfH°gas	-222.00 ± 5.40	kJ/mol	NIST
ΔfH°liquid	-274.00 ± 4.60	kJ/mol	NIST
ΔfusH°	8.06	kJ/mol	Joback Calculated Property
ΔvapH°	52.00 ± 2.00	kJ/mol	NIST
IE	[8.80; 9.10]	eV
IE	8.80	eV	NIST
IE	9.07 ± 0.05	eV	NIST
IE	9.10	eV	NIST
log10WS	-1.76		Crippen Calculated Property
logPoct/wat	1.766		Crippen Calculated Property
McVol	103.430	ml/mol	McGowan Calculated Property
Pc	3713.49	kPa	Joback Calculated Property
Tboil	472.28	K	Joback Calculated Property
Tc	702.14	K	Joback Calculated Property
Tfus	276.98	K	Joback Calculated Property
Vc	0.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.73; 321.98]	J/mol×K	[472.28; 702.14]
Cp,gas	232.73	J/mol×K	472.28	Joback Calculated Property
Cp,gas	250.02	J/mol×K	510.59	Joback Calculated Property
Cp,gas	266.30	J/mol×K	548.90	Joback Calculated Property
Cp,gas	281.60	J/mol×K	587.21	Joback Calculated Property
Cp,gas	295.95	J/mol×K	625.52	Joback Calculated Property
Cp,gas	309.40	J/mol×K	663.83	Joback Calculated Property
Cp,gas	321.98	J/mol×K	702.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octanone.

Sources

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

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