Chemical Properties of 2-Oxabicyclo[2.2.0]hex-5-en-3-one (CAS 22980-23-0)

InChI

InChI=1S/C5H4O2/c6-5-3-1-2-4(3)7-5/h1-4H

InChI Key

QAVYTTBRXJVSNJ-UHFFFAOYSA-N

Formula

C5H4O2

SMILES

O=C1OC2C=CC12

Molecular Weight¹

96.08

CAS

22980-23-0

Other Names

• 2-Oxa-3-oxobicyclo[2.2.0]hex-5-ene

• 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).
• 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, Ionization energy, 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	[84.31; 210.01]	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			-5.87100e+01
Coefficient B			6.89000e-01
Coefficient C			-6.74080e-04
Coefficient D			2.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	84.31	J/mol×K	273.00	Calculated Property
Cp,gas	111.91	J/mol×K	353.78	Calculated Property
Cp,gas	134.23	J/mol×K	434.56	Calculated Property
Cp,gas	152.07	J/mol×K	515.33	Calculated Property
Cp,gas	166.24	J/mol×K	596.11	Calculated Property
Cp,gas	177.53	J/mol×K	676.89	Calculated Property
Cp,gas	186.75	J/mol×K	757.67	Calculated Property
Cp,gas	194.70	J/mol×K	838.44	Calculated Property
Cp,gas	202.19	J/mol×K	919.22	Calculated Property
Cp,gas	210.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002871; 0.0005713]	Pa×s	[232.12; 397.99]	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			-6.50477e+00
Coefficient B			-3.83220e+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.			232.12
Temperature range, max.			397.99
η	0.0002871	Pa×s	232.12	Calculated Property
η	0.0003242	Pa×s	250.55	Calculated Property
η	0.0003600	Pa×s	268.98	Calculated Property
η	0.0003944	Pa×s	287.41	Calculated Property
η	0.0004274	Pa×s	305.84	Calculated Property
η	0.0004590	Pa×s	324.27	Calculated Property
η	0.0004891	Pa×s	342.70	Calculated Property
η	0.0005178	Pa×s	361.13	Calculated Property
η	0.0005452	Pa×s	379.56	Calculated Property
η	0.0005713	Pa×s	397.99	Calculated Property

Similar Compounds

Find more compounds similar to 2-Oxabicyclo[2.2.0]hex-5-en-3-one.

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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