Chemical Properties of Bicyclo[3.1.0]hexane

InChI

InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2

InChI Key

JAPMJSVZDUYFKL-UHFFFAOYSA-N

Formula

C6H10

SMILES

C1CC2CC2C1

Molecular Weight¹

82.15

Other Names

• Norsabinane
• Northujane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-3818.00; -3795.00]	kJ/mol
ΔcH°liquid	-3795.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-3818.00	kJ/mol	NIST
ΔfH°gas	39.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	5.00 ± 3.00	kJ/mol	NIST
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔvapH°	[33.50; 34.00]	kJ/mol
ΔvapH°	33.50 ± 0.40	kJ/mol	NIST
ΔvapH°	34.00	kJ/mol	NIST
ΔvapH°	33.50 ± 0.40	kJ/mol	NIST
IE	[9.16; 9.28]	eV
IE	9.28 ± 0.05	eV	NIST
IE	9.16 ± 0.02	eV	NIST
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	1.806		Crippen Calculated Property
McVol	73.680	ml/mol	McGowan Calculated Property
Pc	4249.61	kPa	Joback Calculated Property
Inp	[670.00; 678.00]
Inp	670.00		NIST
Inp	678.00		NIST
Inp	670.00		NIST
Tboil	[353.77; 355.00]	K
Tboil	355.00 ± 2.00	K	NIST
Tboil	353.77 ± 0.50	K	NIST
Tc	583.48	K	Relay (1.0) Calculated Property
Tfus	195.49 ± 0.30	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[85.88; 288.35]	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			-1.03050e+02
Coefficient B			8.75600e-01
Coefficient C			-7.43000e-04
Coefficient D			2.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	85.88	J/mol×K	273.00	Calculated Property
Cp,gas	125.18	J/mol×K	353.78	Calculated Property
Cp,gas	158.38	J/mol×K	434.56	Calculated Property
Cp,gas	186.28	J/mol×K	515.33	Calculated Property
Cp,gas	209.70	J/mol×K	596.11	Calculated Property
Cp,gas	229.47	J/mol×K	676.89	Calculated Property
Cp,gas	246.40	J/mol×K	757.67	Calculated Property
Cp,gas	261.31	J/mol×K	838.44	Calculated Property
Cp,gas	275.02	J/mol×K	919.22	Calculated Property
Cp,gas	288.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002528; 0.0003735]	Pa×s	[195.49; 382.01]	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			-7.48350e+00
Coefficient B			-1.56280e+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.			195.49
Temperature range, max.			382.01
η	0.0002528	Pa×s	195.49	Calculated Property
η	0.0002729	Pa×s	216.21	Calculated Property
η	0.0002907	Pa×s	236.94	Calculated Property
η	0.0003066	Pa×s	257.66	Calculated Property
η	0.0003207	Pa×s	278.39	Calculated Property
η	0.0003335	Pa×s	299.11	Calculated Property
η	0.0003449	Pa×s	319.84	Calculated Property
η	0.0003554	Pa×s	340.56	Calculated Property
η	0.0003648	Pa×s	361.29	Calculated Property
η	0.0003735	Pa×s	382.01	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hexane.

Sources

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

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