Chemical Properties of Benzofurazan, 5-methyl-, 1-oxide (CAS 19164-41-1)

InChI

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

InChI Key

HCWVKDOCXDWFEH-UHFFFAOYSA-N

Formula

C7H6N2O2

SMILES

Cc1ccc2c(c1)no[n+]2[O-]

Molecular Weight¹

150.13

CAS

19164-41-1

Other Names

• 5-Methylbenzofurazan oxide
• 5-Methylbenzofurazan N-oxide
• 5-Methylbenzofurazan 1-oxide
• 5-Methylbenzofuroxan

• 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	-3787.30 ± 1.50	kJ/mol	NIST
ΔfH°gas	267.40 ± 2.20	kJ/mol	NIST
ΔfH°solid	175.20 ± 1.80	kJ/mol	NIST
ΔsubH°	[92.20; 92.20]	kJ/mol
ΔsubH°	92.20 ± 1.20	kJ/mol	NIST
ΔsubH°	92.20 ± 1.20	kJ/mol	NIST
log10WS	-8.78		Crippen Calculated Property
logPoct/wat	0.770		Crippen Calculated Property
McVol	102.270	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Benzofurazan, 5-methyl-, 1-oxide.

Sources

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

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