Chemical Properties of Bicyclo[3.2.1]octane (CAS 6221-55-2)

InChI

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

InChI Key

LPCWKMYWISGVSK-UHFFFAOYSA-N

Formula

C8H14

SMILES

C1CC2CCC(C1)C2

Molecular Weight¹

110.20

CAS

6221-55-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.2689		Relay (1.0) Calculated Property
ΔfG°	113.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔvapH°	42.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) 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	[869.00; 886.00]
Inp	869.60		NIST
Inp	876.50		NIST
Inp	869.00		NIST
Inp	874.00		NIST
Inp	877.00		NIST
Inp	881.00		NIST
Inp	886.00		NIST
Inp	869.00		NIST
Tboil	412.96	K	Relay (1.0) Calculated Property
Tc	650.13	K	Relay (1.0) Calculated Property
Tfus	290.59	K	Relay (1.0) Calculated Property
Vc	0.371	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.52; 395.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.15110e+02
Coefficient B			1.04640e+00
Coefficient C			-7.59000e-04
Coefficient D			2.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.52	J/mol×K	273.00	Calculated Property
Cp,gas	169.95	J/mol×K	353.78	Calculated Property
Cp,gas	214.56	J/mol×K	434.56	Calculated Property
Cp,gas	253.06	J/mol×K	515.33	Calculated Property
Cp,gas	286.15	J/mol×K	596.11	Calculated Property
Cp,gas	314.53	J/mol×K	676.89	Calculated Property
Cp,gas	338.91	J/mol×K	757.67	Calculated Property
Cp,gas	359.99	J/mol×K	838.44	Calculated Property
Cp,gas	378.48	J/mol×K	919.22	Calculated Property
Cp,gas	395.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013767; 0.0004441]	Pa×s	[208.76; 430.28]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.78570e+00
Coefficient B			4.58780e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			208.76
Temperature range, max.			430.28
η	0.0013767	Pa×s	208.76	Calculated Property
η	0.0010919	Pa×s	233.37	Calculated Property
η	0.0009052	Pa×s	257.99	Calculated Property
η	0.0007753	Pa×s	282.60	Calculated Property
η	0.0006807	Pa×s	307.21	Calculated Property
η	0.0006094	Pa×s	331.83	Calculated Property
η	0.0005539	Pa×s	356.44	Calculated Property
η	0.0005097	Pa×s	381.05	Calculated Property
η	0.0004738	Pa×s	405.67	Calculated Property
η	0.0004441	Pa×s	430.28	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.2.1]octane.

Sources

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

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