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

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5731		Relay (1.0) Calculated Property
ΔcH°solid	-7346.10 ± 1.20	kJ/mol	NIST
ΔfG°	312.34	kJ/mol	Relay (1.0-beta) Calculated Property
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
ΔvapH°	83.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	2.956		Crippen Calculated Property
McVol	178.020	ml/mol	McGowan Calculated Property
Pc	3006.66	kPa	Relay (1.0-beta) Calculated Property
Tboil	614.36	K	Relay (1.0) Calculated Property
Tc	881.49	K	Relay (1.0) Calculated Property
Tfus	382.12	K	Relay (1.0) Calculated Property
Vc	0.617	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.