Chemical Properties of Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide (CAS 3585-93-1)

InChI

InChI=1S/C14H13NO2/c1-17-14-9-7-12(8-10-14)11-15(16)13-5-3-2-4-6-13/h2-11H,1H3

InChI Key

GIBHBSRKHBYUKU-UHFFFAOYSA-N

Formula

C14H13NO2

SMILES

COc1ccc(C=[N+]([O-])c2ccccc2)cc1

Molecular Weight¹

227.26

CAS

3585-93-1

Other Names

• Nitrone, «alpha»-(p-methoxyphenyl)-N-phenyl-
• «alpha»-(p-Methoxyphenyl)-N-phenylnitrone
• «alpha»-4'-Methoxyphenyl N-phenylnitrone

• 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	-7346.10 ± 1.20	kJ/mol	NIST
ΔfH°gas	109.70 ± 2.50	kJ/mol	NIST
ΔfH°solid	-20.90 ± 2.20	kJ/mol	NIST
ΔsubH°	[130.60; 130.60]	kJ/mol
ΔsubH°	130.60 ± 1.20	kJ/mol	NIST
ΔsubH°	130.60 ± 1.20	kJ/mol	NIST
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	2.956		Crippen Calculated Property
McVol	178.020	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide.

Sources

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

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