Chemical Properties of Bicyclo[2.2.2]oct-2-ene,5-methylene-

InChI

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

InChI Key

XERADROWVPYPEM-UHFFFAOYSA-N

Formula

C9H12

SMILES

C=C1CC2C=CC1CC2

Molecular Weight¹

120.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.77; 383.47]	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			-8.59500e+01
Coefficient B			9.67900e-01
Coefficient C			-7.08280e-04
Coefficient D			2.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.77	J/mol×K	273.00	Calculated Property
Cp,gas	177.11	J/mol×K	353.78	Calculated Property
Cp,gas	218.12	J/mol×K	434.56	Calculated Property
Cp,gas	253.46	J/mol×K	515.33	Calculated Property
Cp,gas	283.78	J/mol×K	596.11	Calculated Property
Cp,gas	309.76	J/mol×K	676.89	Calculated Property
Cp,gas	332.05	J/mol×K	757.67	Calculated Property
Cp,gas	351.33	J/mol×K	838.44	Calculated Property
Cp,gas	368.24	J/mol×K	919.22	Calculated Property
Cp,gas	383.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008795; 0.0004745]	Pa×s	[234.47; 446.44]	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			-8.33588e+00
Coefficient B			3.04760e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			234.47
Temperature range, max.			446.44
η	0.0008795	Pa×s	234.47	Calculated Property
η	0.0007811	Pa×s	258.02	Calculated Property
η	0.0007077	Pa×s	281.57	Calculated Property
η	0.0006509	Pa×s	305.13	Calculated Property
η	0.0006060	Pa×s	328.68	Calculated Property
η	0.0005696	Pa×s	352.23	Calculated Property
η	0.0005395	Pa×s	375.78	Calculated Property
η	0.0005143	Pa×s	399.33	Calculated Property
η	0.0004929	Pa×s	422.89	Calculated Property
η	0.0004745	Pa×s	446.44	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-2-ene,5-methylene-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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