Chemical Properties of Benzylidene-(4-nitrophenyl)-amine (CAS 69173-79-1)

InChI

InChI=1S/C13H10N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10H

InChI Key

NYJOAZXGKLCRSV-UHFFFAOYSA-N

Formula

C13H10N2O2

SMILES

O=[N+]([O-])c1ccc(N=Cc2ccccc2)cc1

Molecular Weight¹

226.23

CAS

69173-79-1

Other Names

• Benzenamine, 4-nitro-N-(phenylmethylene)-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• 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	0.6269		Relay (1.0) Calculated Property
ΔfG°	377.74	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	248.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.06	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.76]	eV
IE	8.40	eV	NIST
IE	8.76	eV	NIST
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	3.345		Crippen Calculated Property
McVol	169.610	ml/mol	McGowan Calculated Property
Pc	2735.42	kPa	Joback Calculated Property
Inp	2259.00		NIST
Tboil	626.68	K	Relay (1.0) Calculated Property
Tc	920.92	K	Relay (1.0) Calculated Property
Tfus	404.08	K	Relay (1.0) Calculated Property
Vc	0.593	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzylidene-(4-nitrophenyl)-amine.

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
• Joback Method
• McGowan Method
• NIST Webbook

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