Chemical Properties of Bicyclo[4.1.0]heptane (CAS 286-08-8)

InChI

InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2

InChI Key

WPHGSKGZRAQSGP-UHFFFAOYSA-N

Formula

C7H12

SMILES

C1CCC2CC2C1

Molecular Weight¹

96.17

CAS

286-08-8

Other Names

• Norcarane
• cis-Bicyclo[4.1.0]heptane

• 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).
• P_vap : Vapor 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	[-4442.60; -4433.00]	kJ/mol
ΔcH°liquid	-4433.00 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-4442.60 ± 1.70	kJ/mol	NIST
ΔfG°	117.46	kJ/mol	Joback Calculated Property
ΔfH°gas	[2.00; 11.00]	kJ/mol
ΔfH°gas	2.00 ± 4.20	kJ/mol	NIST
ΔfH°gas	11.00	kJ/mol	NIST
ΔfH°liquid	[-36.00; -27.00]	kJ/mol
ΔfH°liquid	-36.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-27.00 ± 1.70	kJ/mol	NIST
ΔfusH°	8.06	kJ/mol	Joback Calculated Property
ΔvapH°	[38.00; 40.60]	kJ/mol
ΔvapH°	40.60 ± 0.20	kJ/mol	NIST
ΔvapH°	38.10 ± 0.80	kJ/mol	NIST
ΔvapH°	38.00	kJ/mol	NIST
IE	[9.03; 9.46]	eV
IE	9.03 ± 0.02	eV	NIST
IE	9.46	eV	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	87.770	ml/mol	McGowan Calculated Property
Pc	3881.95	kPa	Joback Calculated Property
Inp	[796.00; 797.00]
Inp	797.00		NIST
Inp	796.00		NIST
Inp	796.00		NIST
Inp	797.00		NIST
Tboil	[383.00; 389.00]	K
Tboil	383.00	K	NIST
Tboil	389.00 ± 3.00	K	NIST
Tboil	389.00 ± 2.00	K	NIST
Tboil	389.00 ± 2.00	K	NIST
Tboil	389.00 ± 4.00	K	NIST
Tc	580.24	K	Joback Calculated Property
Tfus	201.01	K	Joback Calculated Property
Vc	0.334	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.53; 242.73]	J/mol×K	[377.31; 580.24]
Cp,gas	159.53	J/mol×K	377.31	Joback Calculated Property
Cp,gas	175.81	J/mol×K	411.13	Joback Calculated Property
Cp,gas	191.05	J/mol×K	444.95	Joback Calculated Property
Cp,gas	205.30	J/mol×K	478.78	Joback Calculated Property
Cp,gas	218.63	J/mol×K	512.60	Joback Calculated Property
Cp,gas	231.09	J/mol×K	546.42	Joback Calculated Property
Cp,gas	242.73	J/mol×K	580.24	Joback Calculated Property
η	[0.0004425; 0.0006290]	Pa×s	[201.01; 377.31]
η	0.0006290	Pa×s	201.01	Joback Calculated Property
η	0.0005714	Pa×s	230.39	Joback Calculated Property
η	0.0005305	Pa×s	259.78	Joback Calculated Property
η	0.0005001	Pa×s	289.16	Joback Calculated Property
η	0.0004765	Pa×s	318.54	Joback Calculated Property
η	0.0004578	Pa×s	347.93	Joback Calculated Property
η	0.0004425	Pa×s	377.31	Joback Calculated Property
ΔvapH	[36.50; 38.00]	kJ/mol	[341.50; 359.00]
ΔvapH	38.00 ± 0.80	kJ/mol	341.50	NIST
ΔvapH	36.50	kJ/mol	359.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[283.23; 416.38]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41312e+01
Coefficient B			-3.23607e+03
Coefficient C			-4.94730e+01
Temperature range, min.			283.23
Temperature range, max.			416.38
Pvap	1.33	kPa	283.23	Calculated Property
Pvap	3.04	kPa	298.02	Calculated Property
Pvap	6.32	kPa	312.82	Calculated Property
Pvap	12.14	kPa	327.61	Calculated Property
Pvap	21.85	kPa	342.41	Calculated Property
Pvap	37.16	kPa	357.20	Calculated Property
Pvap	60.20	kPa	372.00	Calculated Property
Pvap	93.48	kPa	386.79	Calculated Property
Pvap	139.88	kPa	401.59	Calculated Property
Pvap	202.63	kPa	416.38	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptane.

Sources

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

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