Chemical Properties of 9-Oxabicyclo[4.2.1]nona-2,4-diene

InChI

InChI=1S/C8H10O/c1-2-4-8-6-5-7(3-1)9-8/h1-4,7-8H,5-6H2

InChI Key

UPTPBLCFJRDBQW-UHFFFAOYSA-N

Formula

C8H10O

SMILES

C1=CC2CCC(C=C1)O2

Molecular Weight¹

122.17

• 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).
• 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	[118.04; 353.79]	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			-8.73500e+01
Coefficient B			9.21800e-01
Coefficient C			-6.73260e-04
Coefficient D			1.92600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.04	J/mol×K	273.00	Calculated Property
Cp,gas	163.03	J/mol×K	353.78	Calculated Property
Cp,gas	201.89	J/mol×K	434.56	Calculated Property
Cp,gas	235.25	J/mol×K	515.33	Calculated Property
Cp,gas	263.70	J/mol×K	596.11	Calculated Property
Cp,gas	287.87	J/mol×K	676.89	Calculated Property
Cp,gas	308.35	J/mol×K	757.67	Calculated Property
Cp,gas	325.76	J/mol×K	838.44	Calculated Property
Cp,gas	340.70	J/mol×K	919.22	Calculated Property
Cp,gas	353.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019904; 0.0004464]	Pa×s	[233.33; 460.25]	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			-9.25161e+00
Coefficient B			7.07500e+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.			233.33
Temperature range, max.			460.25
η	0.0019904	Pa×s	233.33	Calculated Property
η	0.0014809	Pa×s	258.54	Calculated Property
η	0.0011612	Pa×s	283.76	Calculated Property
η	0.0009475	Pa×s	308.97	Calculated Property
η	0.0007971	Pa×s	334.18	Calculated Property
η	0.0006871	Pa×s	359.39	Calculated Property
η	0.0006039	Pa×s	384.61	Calculated Property
η	0.0005393	Pa×s	409.82	Calculated Property
η	0.0004879	Pa×s	435.03	Calculated Property
η	0.0004464	Pa×s	460.25	Calculated Property

Similar Compounds

Find more compounds similar to 9-Oxabicyclo[4.2.1]nona-2,4-diene.

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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