Chemical Properties of Benzenamine, N-(phenylmethylene)-, N-oxide (CAS 1137-96-8)

InChI

InChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H

InChI Key

ZEAUJQWDPKRESH-UHFFFAOYSA-N

Formula

C13H11NO

SMILES

[O-][N+](=Cc1ccccc1)c1ccccc1

Molecular Weight¹

197.23

CAS

1137-96-8

Other Names

• Benzaldehydephenylnitrone
• Nitrone, N,«alpha»-diphenyl-
• «alpha»,N-Diphenylnitrone
• C,N-Diphenylnitrone
• Diphenylnitrone
• N,«alpha»-Diphenylnitrone
• N-benzylideneaniline N-oxide

• 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	0.4697		Relay (1.0) Calculated Property
ΔcH°solid	-6835.70 ± 1.00	kJ/mol	NIST
ΔfG°	408.10	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	263.00 ± 2.10	kJ/mol	NIST
ΔfH°solid	148.00 ± 2.00	kJ/mol	NIST
ΔsubH°	[115.00; 115.00]	kJ/mol
ΔsubH°	115.00 ± 0.80	kJ/mol	NIST
ΔsubH°	115.00 ± 0.80	kJ/mol	NIST
ΔvapH°	74.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	2.948		Crippen Calculated Property
McVol	158.060	ml/mol	McGowan Calculated Property
Pc	3622.95	kPa	Relay (1.0-beta) Calculated Property
Tboil	578.29	K	Relay (1.0) Calculated Property
Tc	875.32	K	Relay (1.0) Calculated Property
Tfus	370.62	K	Relay (1.0) Calculated Property
Vc	0.550	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N-(phenylmethylene)-, 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

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