Chemical Properties of Phenol, 2-[(phenylimino)methyl]-, N-oxide (CAS 20357-59-9)

InChI

InChI=1S/C13H11NO2/c15-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h1-10,15H

InChI Key

ORXOGPXBVINWDG-UHFFFAOYSA-N

Formula

C13H11NO2

SMILES

[O-][N+](=Cc1ccccc1O)c1ccccc1

Molecular Weight¹

213.23

CAS

20357-59-9

Other Names

• Nitrone, «alpha»-(o-hydroxyphenyl)-N-phenyl-
• «alpha»-(o-Hydroxyphenyl)-N-phenylnitrone
• Nitrone, «alpha»-(2-hydroxyphenyl)-N-phenyl-

• 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	0.6290		Relay (1.0) Calculated Property
ΔcH°solid	-6625.10 ± 1.10	kJ/mol	NIST
ΔfG°	271.84	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	53.90 ± 2.40	kJ/mol	NIST
ΔfH°solid	-62.60 ± 2.00	kJ/mol	NIST
ΔsubH°	[116.50; 116.50]	kJ/mol
ΔsubH°	116.50 ± 1.40	kJ/mol	NIST
ΔsubH°	116.50 ± 1.40	kJ/mol	NIST
ΔvapH°	92.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.653		Crippen Calculated Property
McVol	163.930	ml/mol	McGowan Calculated Property
Pc	4704.28	kPa	Relay (1.0-beta) Calculated Property
Tboil	592.08	K	Relay (1.0) Calculated Property
Tc	921.48	K	Relay (1.0) Calculated Property
Tfus	401.75	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-[(phenylimino)methyl]-, 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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