Chemical Properties of 2-Norbornene (CAS 498-66-8)

InChI

InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2

InChI Key

JFNLZVQOOSMTJK-UHFFFAOYSA-N

Formula

C7H10

SMILES

C1=CC2CCC1C2

Molecular Weight¹

94.15

CAS

498-66-8

Other Names

• 2-Norbornylene
• 3,6-endomethylenecyclohexene
• 8,9,10-trinor-2-bornene
• 8,9,10-trinorborn-2-ene
• Bicyclo[2.2.1]-2-heptene
• Bicyclo[2.2.1]heptene
• NSC 120425
• Norfenchene
• bicyclo[2.2.1]hept-2-ene
• norbornene
• norbornylene
• norcamphene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1892		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	836.50	kJ/mol	NIST
BasG	804.00	kJ/mol	NIST
ΔcH°liquid	-4213.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	[-4237.20; -4225.10]	kJ/mol
ΔcH°solid	-4228.20 ± 2.00	kJ/mol	NIST
ΔcH°solid	-4237.20 ± 3.20	kJ/mol	NIST
ΔcH°solid	-4225.10 ± 1.30	kJ/mol	NIST
ΔfH°gas	[63.30; 121.00]	kJ/mol
ΔfH°gas	82.60 ± 2.10	kJ/mol	NIST
ΔfH°gas	85.40	kJ/mol	NIST
ΔfH°gas	89.50	kJ/mol	NIST
ΔfH°gas	90.60 ± 3.40	kJ/mol	NIST
ΔfH°gas	80.10 ± 1.50	kJ/mol	NIST
ΔfH°gas	88.40 ± 2.70	kJ/mol	NIST
ΔfH°gas	63.30 ± 1.80	kJ/mol	NIST
ΔfH°gas	Outlier 121.00	kJ/mol	NIST
ΔfH°liquid	29.70 ± 1.70	kJ/mol	NIST
ΔfH°solid	[41.40; 53.50]	kJ/mol
ΔfH°solid	44.40 ± 2.00	kJ/mol	NIST
ΔfH°solid	53.50 ± 3.20	kJ/mol	NIST
ΔfH°solid	41.40 ± 1.40	kJ/mol	NIST
ΔfusH°	9.28	kJ/mol	Joback Calculated Property
ΔsubH°	[37.10; 38.70]	kJ/mol
ΔsubH°	38.20 ± 0.20	kJ/mol	NIST
ΔsubH°	38.20	kJ/mol	NIST
ΔsubH°	37.84 ± 0.14	kJ/mol	NIST
ΔsubH°	37.80 ± 0.14	kJ/mol	NIST
ΔsubH°	37.80 ± 0.90	kJ/mol	NIST
ΔsubH°	37.10	kJ/mol	NIST
ΔsubH°	37.70 ± 0.90	kJ/mol	NIST
ΔsubH°	38.70 ± 0.50	kJ/mol	NIST
ΔsubH°	38.70 ± 0.54	kJ/mol	NIST
ΔsubH°	38.70	kJ/mol	NIST
ΔvapH°	[33.60; 35.10]	kJ/mol
ΔvapH°	35.10 ± 0.20	kJ/mol	NIST
ΔvapH°	33.60 ± 0.08	kJ/mol	NIST
ΔvapH°	33.60	kJ/mol	NIST
IE	[8.60; 9.20]	eV
IE	Outlier 8.60	eV	NIST
IE	8.80 ± 0.01	eV	NIST
IE	8.82	eV	NIST
IE	8.81 ± 0.02	eV	NIST
IE	8.83	eV	NIST
IE	9.00 ± 0.10	eV	NIST
IE	8.95 ± 0.15	eV	NIST
IE	9.05	eV	NIST
IE	Outlier 9.20	eV	NIST
IE	8.97	eV	NIST
IE	8.95	eV	NIST
IE	8.97	eV	NIST
IE	8.97	eV	NIST
IE	8.97	eV	NIST
IE	8.97	eV	NIST
IE	8.95	eV	NIST
logPoct/wat	1.973		Crippen Calculated Property
McVol	83.470	ml/mol	McGowan Calculated Property
Pc	[4860.00; 4860.00]	kPa
Pc	4860.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4860.00 ± 250.00	kPa	NIST
ρc	299.50 ± 14.12	kg/m3	NIST
Inp	[699.00; 741.10]
Inp	731.00		NIST
Inp	726.00		NIST
Inp	721.20		NIST
Inp	714.60		NIST
Inp	741.10		NIST
Inp	735.20		NIST
Inp	731.00		NIST
Inp	726.00		NIST
Inp	706.70		NIST
Inp	704.00		NIST
Inp	710.00		NIST
Inp	715.00		NIST
Inp	720.00		NIST
Inp	699.00		NIST
Inp	727.00		NIST
Inp	716.00		NIST
Inp	699.00		NIST
Tboil	[368.87; 369.20]	K
Tboil	369.20	K	NIST
Tboil	368.87 ± 0.30	K	NIST
Tc	[590.00; 590.00]	K
Tc	590.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	590.00 ± 2.00	K	NIST
Tfus	[317.30; 319.00]	K
Tfus	318.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	319.00 ± 0.10	K	NIST
Tfus	317.30 ± 0.30	K	NIST
Tfus	318.90 ± 0.20	K	NIST
Ttriple	319.50 ± 1.00	K	NIST
Vc	0.311	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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
Cp,solid	[129.90; 129.90]	J/mol×K	[297.00; 298.15]
Cp,solid	129.90	J/mol×K	297.00	NIST
Cp,solid	129.90	J/mol×K	298.15	NIST
ΔfusH	[3.48; 4.27]	kJ/mol	[130.30; 319.50]
ΔfusH	4.27	kJ/mol	130.30	NIST
ΔfusH	3.48	kJ/mol	319.50	NIST
ΔfusH	3.48	kJ/mol	319.50	NIST
ΔvapH	[30.80; 34.30]	kJ/mol	[325.50; 372.00]
ΔvapH	34.30	kJ/mol	325.50	NIST
ΔvapH	33.00 ± 0.20	kJ/mol	372.00	NIST
ΔvapH	30.80 ± 0.30	kJ/mol	372.00	NIST
ΔfusS	[10.89; 32.77]	J/mol×K	[130.30; 319.50]
ΔfusS	32.77	J/mol×K	130.30	NIST
ΔfusS	10.89	J/mol×K	319.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.73; 310.42]	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			-1.01300e+02
Coefficient B			9.05000e-01
Coefficient C			-7.38280e-04
Coefficient D			2.45000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.73	J/mol×K	273.00	Calculated Property
Cp,gas	137.31	J/mol×K	353.78	Calculated Property
Cp,gas	172.66	J/mol×K	434.56	Calculated Property
Cp,gas	202.54	J/mol×K	515.33	Calculated Property
Cp,gas	227.73	J/mol×K	596.11	Calculated Property
Cp,gas	249.00	J/mol×K	676.89	Calculated Property
Cp,gas	267.13	J/mol×K	757.67	Calculated Property
Cp,gas	282.90	J/mol×K	838.44	Calculated Property
Cp,gas	297.07	J/mol×K	919.22	Calculated Property
Cp,gas	310.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004185; 0.0004022]	Pa×s	[318.46; 413.00]	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			-7.95304e+00
Coefficient B			5.54900e+01
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.			318.46
Temperature range, max.			413.00
η	0.0004185	Pa×s	318.46	Calculated Property
η	0.0004162	Pa×s	328.97	Calculated Property
η	0.0004140	Pa×s	339.47	Calculated Property
η	0.0004120	Pa×s	349.97	Calculated Property
η	0.0004101	Pa×s	360.48	Calculated Property
η	0.0004083	Pa×s	370.98	Calculated Property
η	0.0004066	Pa×s	381.49	Calculated Property
η	0.0004051	Pa×s	391.99	Calculated Property
η	0.0004036	Pa×s	402.50	Calculated Property
η	0.0004022	Pa×s	413.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[263.09; 395.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39662e+01
Coefficient B			-3.11661e+03
Coefficient C			-3.52470e+01
Temperature range, min.			263.09
Temperature range, max.			395.35
Pvap	1.33	kPa	263.09	Calculated Property
Pvap	3.05	kPa	277.79	Calculated Property
Pvap	6.36	kPa	292.48	Calculated Property
Pvap	12.25	kPa	307.18	Calculated Property
Pvap	22.04	kPa	321.87	Calculated Property
Pvap	37.45	kPa	336.57	Calculated Property
Pvap	60.58	kPa	351.26	Calculated Property
Pvap	93.90	kPa	365.96	Calculated Property
Pvap	140.22	kPa	380.65	Calculated Property
Pvap	202.64	kPa	395.35	Calculated Property

Similar Compounds

Find more compounds similar to 2-Norbornene.

Mixtures

• Toluene + 2-Norbornene + Ethylene
• 2-Norbornene + Ethylene

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Crippen Method
• Solubility of ethylene in toluene, norbornene, and toluene + norbornene mixture
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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