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

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6835.70 ± 1.00	kJ/mol	NIST
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°	74.24	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
Tboil	578.29	K	Relay (1.0) Calculated Property
Tfus	367.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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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