Chemical Properties of 2,5-Norbornadiene (CAS 121-46-0)

InChI

InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2

InChI Key

SJYNFBVQFBRSIB-UHFFFAOYSA-N

Formula

C7H8

SMILES

C1=CC2C=CC1C2

Molecular Weight¹

92.14

CAS

121-46-0

Other Names

• 3,6-methano-1,4-cyclohexadiene
• 8,9,10-trinorborna-2,5-diene
• Bicyclo[2.2.1]-2,5-heptadiene
• Dicycloheptadiene
• NSC 13672
• bicyclo[2.2.1]hepta-2,5-diene
• bicyclo[2.2.1]heptadiene
• norbornadiene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	849.30	kJ/mol	NIST
BasG	820.30	kJ/mol	NIST
ΔcH°liquid	[-4111.70; -4076.70]	kJ/mol
ΔcH°liquid	-4111.70 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-4076.70 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-4099.00	kJ/mol	NIST
ΔfH°gas	[211.70; 247.60]	kJ/mol
ΔfH°gas	244.00	kJ/mol	NIST
ΔfH°gas	240.00	kJ/mol	NIST
ΔfH°gas	247.60 ± 3.10	kJ/mol	NIST
ΔfH°gas	245.00 ± 5.90	kJ/mol	NIST
ΔfH°gas	245.30 ± 2.70	kJ/mol	NIST
ΔfH°gas	Outlier 211.70 ± 1.10	kJ/mol	NIST
ΔfH°liquid	[178.70; 213.80]	kJ/mol
ΔfH°liquid	213.80 ± 3.00	kJ/mol	NIST
ΔfH°liquid	178.70 ± 1.00	kJ/mol	NIST
ΔfusH°	10.50	kJ/mol	Joback Calculated Property
ΔvapH°	[32.90; 34.80]	kJ/mol
ΔvapH°	34.80 ± 0.10	kJ/mol	NIST
ΔvapH°	34.80 ± 0.10	kJ/mol	NIST
ΔvapH°	34.70 ± 0.10	kJ/mol	NIST
ΔvapH°	33.80 ± 0.90	kJ/mol	NIST
ΔvapH°	33.80	kJ/mol	NIST
ΔvapH°	33.80 ± 0.90	kJ/mol	NIST
ΔvapH°	32.90 ± 0.08	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
ΔvapH°	32.90 ± 0.80	kJ/mol	NIST
IE	[8.35; 8.73]	eV
IE	8.38 ± 0.04	eV	NIST
IE	8.40	eV	NIST
IE	8.35	eV	NIST
IE	8.35	eV	NIST
IE	8.42	eV	NIST
IE	8.42 ± 0.02	eV	NIST
IE	8.69	eV	NIST
IE	8.70	eV	NIST
IE	8.73	eV	NIST
IE	8.73	eV	NIST
IE	8.69	eV	NIST
IE	8.69	eV	NIST
IE	8.60	eV	NIST
IE	8.69	eV	NIST
IE	8.70	eV	NIST
logPoct/wat	1.748		Crippen Calculated Property
McVol	79.170	ml/mol	McGowan Calculated Property
Inp	[678.00; 722.80]
Inp	711.00		NIST
Inp	707.00		NIST
Inp	691.10		NIST
Inp	686.30		NIST
Inp	722.80		NIST
Inp	718.30		NIST
Inp	712.00		NIST
Inp	708.00		NIST
Inp	711.00		NIST
Inp	707.00		NIST
Inp	681.20		NIST
Inp	678.00		NIST
Inp	683.00		NIST
Inp	687.00		NIST
Inp	691.00		NIST
Inp	698.00		NIST
Inp	706.00		NIST
Inp	708.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Tboil	[355.40; 363.40]	K
Tboil	362.70	K	NIST
Tboil	363.40	K	NIST
Tboil	355.40 ± 0.80	K	NIST
Tfus	[205.15; 254.00]	K
Tfus	254.00	K	NIST
Tfus	205.15 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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,liquid	[116.10; 161.20]	J/mol×K	[297.00; 298.15]
Cp,liquid	116.10	J/mol×K	297.00	NIST
Cp,liquid	161.20	J/mol×K	298.15	NIST
ΔfusH	1.91	kJ/mol	255.60	NIST
ΔvapH	33.60	kJ/mol	332.00	NIST
λ	[0.13; 0.15]	W/m×K	[258.57; 331.98]
λ	0.15	W/m×K	258.57	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.15	W/m×K	258.70	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.15	W/m×K	258.80	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	276.78	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	276.89	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	276.97	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	296.23	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	296.35	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.14	W/m×K	296.43	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	313.27	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	313.38	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	313.46	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	331.81	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	331.91	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.13	W/m×K	331.98	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.25; 279.12]	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			-9.35200e+01
Coefficient B			8.49000e-01
Coefficient C			-7.25560e-04
Coefficient D			2.49200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.25	J/mol×K	273.00	Calculated Property
Cp,gas	127.06	J/mol×K	353.78	Calculated Property
Cp,gas	158.85	J/mol×K	434.56	Calculated Property
Cp,gas	185.42	J/mol×K	515.33	Calculated Property
Cp,gas	207.54	J/mol×K	596.11	Calculated Property
Cp,gas	226.01	J/mol×K	676.89	Calculated Property
Cp,gas	241.61	J/mol×K	757.67	Calculated Property
Cp,gas	255.14	J/mol×K	838.44	Calculated Property
Cp,gas	267.38	J/mol×K	919.22	Calculated Property
Cp,gas	279.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003498; 0.0003777]	Pa×s	[229.57; 408.30]	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			-7.78268e+00
Coefficient B			-4.02700e+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.			229.57
Temperature range, max.			408.30
η	0.0003498	Pa×s	229.57	Calculated Property
η	0.0003547	Pa×s	249.43	Calculated Property
η	0.0003590	Pa×s	269.29	Calculated Property
η	0.0003627	Pa×s	289.15	Calculated Property
η	0.0003660	Pa×s	309.01	Calculated Property
η	0.0003688	Pa×s	328.87	Calculated Property
η	0.0003714	Pa×s	348.73	Calculated Property
η	0.0003737	Pa×s	368.58	Calculated Property
η	0.0003758	Pa×s	388.44	Calculated Property
η	0.0003777	Pa×s	408.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.66]	kPa	[258.15; 387.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47410e+01
Coefficient B			-3.37634e+03
Coefficient C			-2.91070e+01
Temperature range, min.			258.15
Temperature range, max.			387.17
Pvap	1.00	kPa	258.15	Calculated Property
Pvap	2.38	kPa	272.49	Calculated Property
Pvap	5.15	kPa	286.82	Calculated Property
Pvap	10.28	kPa	301.16	Calculated Property
Pvap	19.13	kPa	315.49	Calculated Property
Pvap	33.56	kPa	329.83	Calculated Property
Pvap	55.94	kPa	344.16	Calculated Property
Pvap	89.19	kPa	358.50	Calculated Property
Pvap	136.76	kPa	372.83	Calculated Property
Pvap	202.66	kPa	387.17	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Norbornadiene.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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