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)-

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	221.40	kJ/mol	Joback Calculated Property
ΔvapH°	69.65	kJ/mol	Joback Calculated Property
IE	[8.40; 8.76]	eV
IE	8.40	eV	NIST
IE	8.76	eV	NIST
log10WS	-3.99		Crippen 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	783.70	K	Joback Calculated Property
Tc	1064.35	K	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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