Chemical Properties of Benzofurazan, 5-methoxy- (CAS 4413-48-3)

InChI

InChI=1S/C7H6N2O2/c1-10-5-2-3-6-7(4-5)9-11-8-6/h2-4H,1H3

InChI Key

VQKJLIJNBRMZJE-UHFFFAOYSA-N

Formula

C7H6N2O2

SMILES

COc1ccc2nonc2c1

Molecular Weight¹

150.13

CAS

4413-48-3

Other Names

• 5-Methoxybenzofurazan

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔcH°solid	-3670.00 ± 1.40	kJ/mol	NIST
ΔfH°gas	147.10 ± 1.80	kJ/mol	NIST
ΔfH°solid	57.90 ± 1.70	kJ/mol	NIST
ΔsubH°	[89.20; 89.20]	kJ/mol
ΔsubH°	89.20 ± 0.70	kJ/mol	NIST
ΔsubH°	89.20 ± 0.70	kJ/mol	NIST
log10WS	-6.66		Crippen Calculated Property
logPoct/wat	1.231		Crippen Calculated Property
McVol	102.270	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Benzofurazan, 5-methoxy-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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