Chemical Properties of 5-Ethylidene-2-norbornene, trans (CAS 28304-66-7)

InChI

InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2-

InChI Key

OJOWICOBYCXEKR-WAPJZHGLSA-N

Formula

C9H12

SMILES

CC=C1CC2C=CC1C2

Molecular Weight¹

120.19

CAS

28304-66-7

Other Names

• (Z)-5-Ethylidene-bicyclo[2.2.1]hept-2-ene
• 5-Ethylidene-2-norbornene, cis
• Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-, cis
• Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-, trans
• cis-5-Ethylidene-2-norbornene

• ω : Acentric Factor.
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3118		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	[-5358.91; -5358.80]	kJ/mol
ΔcH°liquid	-5358.91 ± 0.68	kJ/mol	NIST
ΔcH°liquid	-5358.80 ± 1.60	kJ/mol	NIST
ΔfH°gas	[145.70; 146.73]	kJ/mol
ΔfH°gas	146.73 ± 0.89	kJ/mol	NIST
ΔfH°gas	145.70 ± 1.80	kJ/mol	NIST
ΔfH°liquid	[102.20; 102.34]	kJ/mol
ΔfH°liquid	102.34 ± 0.84	kJ/mol	NIST
ΔfH°liquid	102.20 ± 1.70	kJ/mol	NIST
ΔfusH°	14.78	kJ/mol	Joback Calculated Property
ΔvapH°	[43.50; 44.40]	kJ/mol
ΔvapH°	44.39 ± 0.30	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
ΔvapH°	44.30 ± 0.30	kJ/mol	NIST
ΔvapH°	Outlier 43.50	kJ/mol	NIST
ΔvapH°	44.39 ± 0.30	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
IE	8.46	eV	Relay (1.0) Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	107.350	ml/mol	McGowan Calculated Property
Pc	[3400.00; 3400.00]	kPa
Pc	3400.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3400.00 ± 400.00	kPa	NIST
Pc	3400.00 ± 400.00	kPa	NIST
ρc	[294.47; 294.47]	kg/m3
ρc	294.47 ± 14.42	kg/m3	NIST
ρc	294.47 ± 14.42	kg/m3	NIST
Inp	[891.80; 934.80]
Inp	915.00		NIST
Inp	910.00		NIST
Inp	921.00		NIST
Inp	916.00		NIST
Inp	895.40		NIST
Inp	891.80		NIST
Inp	928.40		NIST
Inp	922.60		NIST
Inp	906.50		NIST
Inp	900.60		NIST
Inp	934.80		NIST
Inp	928.50		NIST
Inp	911.00		NIST
Inp	905.00		NIST
Inp	911.00		NIST
Inp	915.00		NIST
Inp	891.80		NIST
Inp	934.80		NIST
Tboil	417.66	K	Relay (1.0) Calculated Property
Tc	[629.00; 629.00]	K
Tc	629.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	629.00 ± 8.00	K	NIST
Tc	629.00 ± 8.00	K	NIST
Vc	0.294	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Normal melting (fusion) point, 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
ΔvapH	[35.20; 43.00]	kJ/mol	[388.50; 388.50]
ΔvapH	43.00 ± 0.30	kJ/mol	388.50	NIST
ΔvapH	40.50 ± 0.30	kJ/mol	388.50	NIST
ΔvapH	38.00 ± 0.30	kJ/mol	388.50	NIST
ΔvapH	35.20 ± 0.50	kJ/mol	388.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.47; 379.62]	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			-9.20200e+01
Coefficient B			1.01752e+00
Coefficient C			-8.15580e-04
Coefficient D			2.69700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.47	J/mol×K	273.00	Calculated Property
Cp,gas	177.82	J/mol×K	353.78	Calculated Property
Cp,gas	218.27	J/mol×K	434.56	Calculated Property
Cp,gas	252.66	J/mol×K	515.33	Calculated Property
Cp,gas	281.85	J/mol×K	596.11	Calculated Property
Cp,gas	306.69	J/mol×K	676.89	Calculated Property
Cp,gas	328.03	J/mol×K	757.67	Calculated Property
Cp,gas	346.74	J/mol×K	838.44	Calculated Property
Cp,gas	363.65	J/mol×K	919.22	Calculated Property
Cp,gas	379.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006149; 0.0004721]	Pa×s	[234.67; 440.30]	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			-7.95988e+00
Coefficient B			1.32790e+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.			234.67
Temperature range, max.			440.30
η	0.0006149	Pa×s	234.67	Calculated Property
η	0.0005848	Pa×s	257.52	Calculated Property
η	0.0005607	Pa×s	280.37	Calculated Property
η	0.0005411	Pa×s	303.21	Calculated Property
η	0.0005247	Pa×s	326.06	Calculated Property
η	0.0005109	Pa×s	348.91	Calculated Property
η	0.0004991	Pa×s	371.76	Calculated Property
η	0.0004889	Pa×s	394.60	Calculated Property
η	0.0004800	Pa×s	417.45	Calculated Property
η	0.0004721	Pa×s	440.30	Calculated Property

Similar Compounds

Find more compounds similar to 5-Ethylidene-2-norbornene, trans.

Sources

• 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.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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