Chemical Properties of 2H-1,4-Benzoxazin-3(4H)-one (CAS 5466-88-6)

InChI

InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)

InChI Key

QRCGFTXRXYMJOS-UHFFFAOYSA-N

Formula

C8H7NO2

SMILES

OC1=Nc2ccccc2OC1

Molecular Weight¹

149.15

CAS

5466-88-6

Other Names

• 2H-1,4-Benzoxazin-3-one
• 3-Keto-4-aza-2,3-dihydrobenzopyran

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.74; 320.66]	J/mol×K	[606.95; 838.16]
Cp,gas	267.74	J/mol×K	606.95	Joback Calculated Property
Cp,gas	278.44	J/mol×K	645.48	Joback Calculated Property
Cp,gas	288.35	J/mol×K	684.02	Joback Calculated Property
Cp,gas	297.49	J/mol×K	722.55	Joback Calculated Property
Cp,gas	305.89	J/mol×K	761.09	Joback Calculated Property
Cp,gas	313.60	J/mol×K	799.62	Joback Calculated Property
Cp,gas	320.66	J/mol×K	838.16	Joback Calculated Property
ΔfusH	22.80	kJ/mol	445.60	NIST

Similar Compounds

Find more compounds similar to 2H-1,4-Benzoxazin-3(4H)-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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