Chemical Properties of Benzobicyclo[2.2.0]hexa-2,5-diene (CAS 20847-82-9)

InChI

InChI=1S/C10H8/c1-2-4-8-7(3-1)9-5-6-10(8)9/h1-6,9-10H

InChI Key

JYKMWOMRHHJZMI-UHFFFAOYSA-N

Formula

C10H8

SMILES

C1=CC2c3ccccc3C12

Molecular Weight¹

128.17

CAS

20847-82-9

• 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).
• 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, 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	[119.34; 338.29]	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			-1.08270e+02
Coefficient B			1.08040e+00
Coefficient C			-1.00484e-03
Coefficient D			3.71000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.34	J/mol×K	273.00	Calculated Property
Cp,gas	164.61	J/mol×K	353.78	Calculated Property
Cp,gas	201.92	J/mol×K	434.56	Calculated Property
Cp,gas	232.42	J/mol×K	515.33	Calculated Property
Cp,gas	257.29	J/mol×K	596.11	Calculated Property
Cp,gas	277.71	J/mol×K	676.89	Calculated Property
Cp,gas	294.84	J/mol×K	757.67	Calculated Property
Cp,gas	309.87	J/mol×K	838.44	Calculated Property
Cp,gas	323.96	J/mol×K	919.22	Calculated Property
Cp,gas	338.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006381; 0.0010112]	Pa×s	[285.08; 483.37]	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			-6.23461e+00
Coefficient B			-3.19980e+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.			285.08
Temperature range, max.			483.37
η	0.0006381	Pa×s	285.08	Calculated Property
η	0.0006916	Pa×s	307.11	Calculated Property
η	0.0007416	Pa×s	329.14	Calculated Property
η	0.0007882	Pa×s	351.18	Calculated Property
η	0.0008317	Pa×s	373.21	Calculated Property
η	0.0008725	Pa×s	395.24	Calculated Property
η	0.0009106	Pa×s	417.27	Calculated Property
η	0.0009463	Pa×s	439.31	Calculated Property
η	0.0009798	Pa×s	461.34	Calculated Property
η	0.0010112	Pa×s	483.37	Calculated Property

Similar Compounds

Find more compounds similar to Benzobicyclo[2.2.0]hexa-2,5-diene.

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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