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
• Bicyclo[2.2.1]hepta-2,5-diene
• Bicyclo[2.2.1]heptadiene
• Dicycloheptadiene
• NSC 13672
• 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_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_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).
• 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).
• λ : Liquid thermal conductivity (W/m×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
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
ΔfG°	177.38	kJ/mol	Joback Calculated Property
ΔfH°gas	67.19	kJ/mol	Joback Calculated Property
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°	31.76	kJ/mol	Joback Calculated Property
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
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	1.748		Crippen Calculated Property
McVol	79.170	ml/mol	McGowan Calculated Property
Pc	4255.16	kPa	Joback 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
Tc	582.98	K	Joback Calculated Property
Tfus	[205.15; 254.00]	K
Tfus	254.00	K	NIST
Tfus	205.15 ± 1.00	K	NIST
Vc	0.305	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.22; 204.21]	J/mol×K	[375.63; 582.98]
Cp,gas	136.22	J/mol×K	375.63	Joback Calculated Property
Cp,gas	149.85	J/mol×K	410.19	Joback Calculated Property
Cp,gas	162.48	J/mol×K	444.75	Joback Calculated Property
Cp,gas	174.16	J/mol×K	479.30	Joback Calculated Property
Cp,gas	184.97	J/mol×K	513.86	Joback Calculated Property
Cp,gas	194.97	J/mol×K	548.42	Joback Calculated Property
Cp,gas	204.21	J/mol×K	582.98	Joback Calculated Property
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
η	[0.0003417; 0.0003745]	Pa×s	[202.53; 375.63]
η	0.0003417	Pa×s	202.53	Joback Calculated Property
η	0.0003503	Pa×s	231.38	Joback Calculated Property
η	0.0003571	Pa×s	260.23	Joback Calculated Property
η	0.0003627	Pa×s	289.08	Joback Calculated Property
η	0.0003673	Pa×s	317.93	Joback Calculated Property
η	0.0003712	Pa×s	346.78	Joback Calculated Property
η	0.0003745	Pa×s	375.63	Joback Calculated Property
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...
λ	0.15	W/m×K	258.70	Thermal...
λ	0.15	W/m×K	258.80	Thermal...
λ	0.14	W/m×K	276.78	Thermal...
λ	0.14	W/m×K	276.89	Thermal...
λ	0.14	W/m×K	276.97	Thermal...
λ	0.14	W/m×K	296.23	Thermal...
λ	0.14	W/m×K	296.35	Thermal...
λ	0.14	W/m×K	296.43	Thermal...
λ	0.13	W/m×K	313.27	Thermal...
λ	0.13	W/m×K	313.38	Thermal...
λ	0.13	W/m×K	313.46	Thermal...
λ	0.13	W/m×K	331.81	Thermal...
λ	0.13	W/m×K	331.91	Thermal...
λ	0.13	W/m×K	331.98	Thermal...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.66]	kPa	[258.15; 387.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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