Chemical Properties of Benzenamine, 3-nitro-N-(phenylmethylene)- (CAS 5341-44-6)

InChI

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

InChI Key

HFGFPUPROHHWFT-UHFFFAOYSA-N

Formula

C13H10N2O2

SMILES

O=[N+]([O-])c1cccc(N=Cc2ccccc2)c1

Molecular Weight¹

226.23

CAS

5341-44-6

Other Names

• Aniline, N-benzylidene-m-nitro-
• Benzal-m-nitroaniline
• Benzylidene-m-nitroaniline
• N-Benzylidene-m-nitroaniline
• 3-Nitro-N-(benzylidene)aniline
• N-Benzylidene-3-nitroaniline
• Benzylidene-(3-nitrophenyl)-amine

• 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

Similar Compounds

Find more compounds similar to Benzenamine, 3-nitro-N-(phenylmethylene)-.

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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