Chemical Properties of Bicyclo[3.1.0]hexane (CAS 285-58-5)

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

82.14

CAS

285-58-5

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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	121.14	kJ/mol	Joback Calculated Property
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	-1.64		Crippen 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	545.42	K	Joback Calculated Property
Tfus	195.49 ± 0.30	K	NIST
Vc	0.285	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.56; 195.48]	J/mol×K	[350.16; 545.42]
Cp,gas	123.56	J/mol×K	350.16	Joback Calculated Property
Cp,gas	137.73	J/mol×K	382.70	Joback Calculated Property
Cp,gas	150.96	J/mol×K	415.25	Joback Calculated Property
Cp,gas	163.29	J/mol×K	447.79	Joback Calculated Property
Cp,gas	174.79	J/mol×K	480.33	Joback Calculated Property
Cp,gas	185.50	J/mol×K	512.88	Joback Calculated Property
Cp,gas	195.48	J/mol×K	545.42	Joback Calculated Property
η	[0.0002505; 0.0003599]	Pa×s	[193.26; 350.16]
η	0.0002505	Pa×s	193.26	Joback Calculated Property
η	0.0002758	Pa×s	219.41	Joback Calculated Property
η	0.0002976	Pa×s	245.56	Joback Calculated Property
η	0.0003163	Pa×s	271.71	Joback Calculated Property
η	0.0003327	Pa×s	297.86	Joback Calculated Property
η	0.0003471	Pa×s	324.01	Joback Calculated Property
η	0.0003599	Pa×s	350.16	Joback Calculated Property
ΔvapH	33.70	kJ/mol	286.50	NIST

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hexane.

Sources

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

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