Chemical Properties of Bicyclo[5.3.1]undeca-1,3,5,7,9-pentaene (CAS 65754-71-4)

InChI

InChI=1S/C11H10/c1-2-5-10-7-4-8-11(9-10)6-3-1/h1-8H,9H2/b2-1-,3-1-,5-2-,6-3-,10-5-,11-6-

InChI Key

PVDVWMOTLDWVRK-FLXUIKBISA-N

Formula

C11H10

SMILES

C1=CC=C2C=CC=C(C=C1)C2

Molecular Weight¹

142.20

CAS

65754-71-4

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[135.69; 379.30]	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			-7.75800e+01
Coefficient B			9.56600e-01
Coefficient C			-6.96120e-04
Coefficient D			1.96400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.69	J/mol×K	273.00	Calculated Property
Cp,gas	182.41	J/mol×K	353.78	Calculated Property
Cp,gas	222.78	J/mol×K	434.56	Calculated Property
Cp,gas	257.40	J/mol×K	515.33	Calculated Property
Cp,gas	286.90	J/mol×K	596.11	Calculated Property
Cp,gas	311.90	J/mol×K	676.89	Calculated Property
Cp,gas	333.01	J/mol×K	757.67	Calculated Property
Cp,gas	350.87	J/mol×K	838.44	Calculated Property
Cp,gas	366.09	J/mol×K	919.22	Calculated Property
Cp,gas	379.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024177; 0.0002370]	Pa×s	[269.33; 520.78]	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			-1.08348e+01
Coefficient B			1.29543e+03
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.			269.33
Temperature range, max.			520.78
η	0.0024177	Pa×s	269.33	Calculated Property
η	0.0015384	Pa×s	297.27	Calculated Property
η	0.0010580	Pa×s	325.21	Calculated Property
η	0.0007720	Pa×s	353.15	Calculated Property
η	0.0005900	Pa×s	381.09	Calculated Property
η	0.0004677	Pa×s	409.02	Calculated Property
η	0.0003820	Pa×s	436.96	Calculated Property
η	0.0003196	Pa×s	464.90	Calculated Property
η	0.0002729	Pa×s	492.84	Calculated Property
η	0.0002370	Pa×s	520.78	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[5.3.1]undeca-1,3,5,7,9-pentaene.

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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