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_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).
• 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
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	-4.33		Relay (1.0) 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	613.81	K	Relay (1.0) Calculated Property
Tfus	230.50	K	Relay (1.0) Calculated Property

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

Property	Value	Unit	Temperature (K)	Source
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
Cp,gas	[102.20; 341.72]	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			-1.09080e+02
Coefficient B			9.61000e-01
Coefficient C			-7.51000e-04
Coefficient D			2.40800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.20	J/mol×K	273.00	Calculated Property
Cp,gas	147.57	J/mol×K	353.78	Calculated Property
Cp,gas	186.47	J/mol×K	434.56	Calculated Property
Cp,gas	219.67	J/mol×K	515.33	Calculated Property
Cp,gas	247.92	J/mol×K	596.11	Calculated Property
Cp,gas	272.00	J/mol×K	676.89	Calculated Property
Cp,gas	292.65	J/mol×K	757.67	Calculated Property
Cp,gas	310.65	J/mol×K	838.44	Calculated Property
Cp,gas	326.75	J/mol×K	919.22	Calculated Property
Cp,gas	341.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006290; 0.0004300]	Pa×s	[201.01; 406.39]	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			-8.12385e+00
Coefficient B			1.51250e+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.			201.01
Temperature range, max.			406.39
η	0.0006290	Pa×s	201.01	Calculated Property
η	0.0005825	Pa×s	223.83	Calculated Property
η	0.0005472	Pa×s	246.65	Calculated Property
η	0.0005195	Pa×s	269.47	Calculated Property
η	0.0004973	Pa×s	292.29	Calculated Property
η	0.0004790	Pa×s	315.11	Calculated Property
η	0.0004637	Pa×s	337.93	Calculated Property
η	0.0004508	Pa×s	360.75	Calculated Property
η	0.0004397	Pa×s	383.57	Calculated Property
η	0.0004300	Pa×s	406.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[283.23; 416.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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