Chemical Properties of cis,cis-Bicyclo[6.1.0]non-3-ene

InChI

InChI=1S/C9H14/c1-2-4-6-9-7-8(9)5-3-1/h1,3,8-9H,2,4-7H2/b3-1-/t8-,9+/m0/s1

InChI Key

HTNGHCFQBNOUQK-LSBRUGHGSA-N

Formula

C9H14

SMILES

C1=C\C[C@H]2C[C@H]2CCC/1

Molecular Weight¹

122.21

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.37; 417.16]	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			-1.13360e+02
Coefficient B			1.07580e+00
Coefficient C			-7.54280e-04
Coefficient D			2.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.37	J/mol×K	273.00	Calculated Property
Cp,gas	182.08	J/mol×K	353.78	Calculated Property
Cp,gas	228.85	J/mol×K	434.56	Calculated Property
Cp,gas	269.33	J/mol×K	515.33	Calculated Property
Cp,gas	304.18	J/mol×K	596.11	Calculated Property
Cp,gas	334.06	J/mol×K	676.89	Calculated Property
Cp,gas	359.64	J/mol×K	757.67	Calculated Property
Cp,gas	381.58	J/mol×K	838.44	Calculated Property
Cp,gas	400.53	J/mol×K	919.22	Calculated Property
Cp,gas	417.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020254; 0.0004041]	Pa×s	[217.27; 454.76]	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			-9.28825e+00
Coefficient B			6.70550e+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.			217.27
Temperature range, max.			454.76
η	0.0020254	Pa×s	217.27	Calculated Property
η	0.0014499	Pa×s	243.66	Calculated Property
η	0.0011080	Pa×s	270.05	Calculated Property
η	0.0008883	Pa×s	296.43	Calculated Property
η	0.0007383	Pa×s	322.82	Calculated Property
η	0.0006311	Pa×s	349.21	Calculated Property
η	0.0005514	Pa×s	375.60	Calculated Property
η	0.0004905	Pa×s	401.99	Calculated Property
η	0.0004426	Pa×s	428.37	Calculated Property
η	0.0004041	Pa×s	454.76	Calculated Property

Similar Compounds

Find more compounds similar to cis,cis-Bicyclo[6.1.0]non-3-ene.

Sources

• Cheméo Relay (1.0)
• 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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