Chemical Properties of Bicyclo[2.2.2]octane (CAS 280-33-1)

InChI

InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2

InChI Key

GPRLTFBKWDERLU-UHFFFAOYSA-N

Formula

C8H14

SMILES

C1CC2CCC1CC2

Molecular Weight¹

110.20

CAS

280-33-1

Other Names

• 1,4-Endoethylenecyclohexane
• Cyclohexane, 1,4-endo-(1,2-ethanediyl)-

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	-5001.93 ± 0.88	kJ/mol	NIST
ΔfG°	113.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.04 ± 0.96	kJ/mol	NIST
ΔfH°solid	-147.10 ± 0.84	kJ/mol	NIST
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔsubH°	[47.70; 48.10]	kJ/mol
ΔsubH°	47.70 ± 0.80	kJ/mol	NIST
ΔsubH°	48.10	kJ/mol	NIST
ΔvapH°	33.57	kJ/mol	Joback Calculated Property
IE	[9.43; 9.53]	eV
IE	9.47 ± 0.04	eV	NIST
IE	9.43	eV	NIST
IE	9.45 ± 0.02	eV	NIST
IE	9.53	eV	NIST
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.587		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
Inp	883.00		NIST
I	1007.00		NIST
S°gas	324.70 ± 2.50	J/mol×K	NIST
S°solid,1 bar	209.95	J/mol×K	NIST
Tboil	404.46	K	Joback Calculated Property
Tc	614.38	K	Joback Calculated Property
Tfus	443.00 ± 5.00	K	NIST
Ttriple	447.48 ± 0.01	K	NIST
Vc	0.382	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.70; 292.95]	J/mol×K	[404.46; 614.38]
Cp,gas	198.70	J/mol×K	404.46	Joback Calculated Property
Cp,gas	217.06	J/mol×K	439.45	Joback Calculated Property
Cp,gas	234.29	J/mol×K	474.43	Joback Calculated Property
Cp,gas	250.43	J/mol×K	509.42	Joback Calculated Property
Cp,gas	265.55	J/mol×K	544.41	Joback Calculated Property
Cp,gas	279.71	J/mol×K	579.39	Joback Calculated Property
Cp,gas	292.95	J/mol×K	614.38	Joback Calculated Property
Cp,solid	157.69	J/mol×K	298.15	NIST
η	[0.0004754; 0.0013767]	Pa×s	[208.76; 404.46]
η	0.0013767	Pa×s	208.76	Joback Calculated Property
η	0.0010230	Pa×s	241.38	Joback Calculated Property
η	0.0008158	Pa×s	273.99	Joback Calculated Property
η	0.0006827	Pa×s	306.61	Joback Calculated Property
η	0.0005912	Pa×s	339.23	Joback Calculated Property
η	0.0005251	Pa×s	371.84	Joback Calculated Property
η	0.0004754	Pa×s	404.46	Joback Calculated Property
ΔfusH	[4.60; 8.37]	kJ/mol	[164.30; 447.50]
ΔfusH	4.60	kJ/mol	164.30	NIST
ΔfusH	8.37	kJ/mol	447.50	NIST
ΔfusH	8.37	kJ/mol	447.50	NIST
ΔsubH	46.30 ± 0.80	kJ/mol	343.00	NIST
ΔfusS	[18.70; 28.01]	J/mol×K	[164.30; 447.50]
ΔfusS	28.01	J/mol×K	164.30	NIST
ΔfusS	18.70	J/mol×K	447.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[317.06; 436.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.86803e+01
Coefficient B			-5.83153e+03
Temperature range, min.			317.06
Temperature range, max.			436.20
Pvap	1.33	kPa	317.06	Calculated Property
Pvap	2.79	kPa	330.30	Calculated Property
Pvap	5.50	kPa	343.54	Calculated Property
Pvap	10.33	kPa	356.77	Calculated Property
Pvap	18.54	kPa	370.01	Calculated Property
Pvap	31.95	kPa	383.25	Calculated Property
Pvap	53.11	kPa	396.49	Calculated Property
Pvap	85.41	kPa	409.72	Calculated Property
Pvap	133.35	kPa	422.96	Calculated Property
Pvap	202.63	kPa	436.20	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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