Chemical Properties of Bicyclo[2.2.2]oct-2-ene (CAS 931-64-6)

InChI

InChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2

InChI Key

VIQRCOQXIHFJND-UHFFFAOYSA-N

Formula

C8H12

SMILES

C1=CC2CCC1CC2

Molecular Weight¹

108.18

CAS

931-64-6

Other Names

• Bicyclo[2.2.2]octene
• Cyclohexene, 3,6-endo-(1,2-ethanediyl)-
• 3,6-Endoethylenecyclohexene
• 2,2,2-Bicyclooctene-2
• Bicyclo[2.2.2]-2-octene
• Bicyclo[2,2,2]-2-octene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4839.72 ± 0.67	kJ/mol	NIST
ΔfG°	143.74	kJ/mol	Joback Calculated Property
ΔfH°gas	[20.40; 26.00]	kJ/mol
ΔfH°gas	26.00	kJ/mol	NIST
ΔfH°gas	20.40 ± 0.79	kJ/mol	NIST
ΔfH°solid	-23.00 ± 0.67	kJ/mol	NIST
ΔfusH°	9.77	kJ/mol	Joback Calculated Property
ΔsubH°	43.40	kJ/mol	NIST
ΔvapH°	33.86	kJ/mol	Joback Calculated Property
IE	[8.92; 9.07]	eV
IE	8.92	eV	NIST
IE	9.05 ± 0.02	eV	NIST
IE	9.03	eV	NIST
IE	9.07	eV	NIST
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	97.560	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
S°gas	316.30	J/mol×K	NIST
S°solid,1 bar	210.46	J/mol×K	NIST
Tboil	404.00 ± 3.00	K	NIST
Tc	615.80	K	Joback Calculated Property
Tfus	384.50 ± 0.50	K	NIST
Ttriple	389.75 ± 0.01	K	NIST
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.77; 272.57]	J/mol×K	[403.62; 615.80]
Cp,gas	185.77	J/mol×K	403.62	Joback Calculated Property
Cp,gas	202.83	J/mol×K	438.98	Joback Calculated Property
Cp,gas	218.77	J/mol×K	474.35	Joback Calculated Property
Cp,gas	233.66	J/mol×K	509.71	Joback Calculated Property
Cp,gas	247.55	J/mol×K	545.07	Joback Calculated Property
Cp,gas	260.50	J/mol×K	580.43	Joback Calculated Property
Cp,gas	272.57	J/mol×K	615.80	Joback Calculated Property
Cp,solid	156.73	J/mol×K	298.15	NIST
η	[0.0004471; 0.0010286]	Pa×s	[209.52; 403.62]
η	0.0010286	Pa×s	209.52	Joback Calculated Property
η	0.0008159	Pa×s	241.87	Joback Calculated Property
η	0.0006835	Pa×s	274.22	Joback Calculated Property
η	0.0005944	Pa×s	306.57	Joback Calculated Property
η	0.0005308	Pa×s	338.92	Joback Calculated Property
η	0.0004835	Pa×s	371.27	Joback Calculated Property
η	0.0004471	Pa×s	403.62	Joback Calculated Property
ΔfusH	5.40	kJ/mol	389.80	NIST

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-2-ene.

Sources

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

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