Chemical Properties of Benzenamine,N-[(3-methylphenyl)methylene]-4-nitro- (CAS 62453-03-6)

InChI

InChI=1S/C14H12N2O2/c1-11-3-2-4-12(9-11)10-15-13-5-7-14(8-6-13)16(17)18/h2-10H,1H3/b15-10+

InChI Key

VQCDHUITEKSJND-XNTDXEJSSA-N

Formula

C14H12N2O2

SMILES

Cc1cccc(C=Nc2ccc([N+](=O)[O-])cc2)c1

Molecular Weight¹

240.26

CAS

62453-03-6

• 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).
• 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,N-[(3-methylphenyl)methylene]-4-nitro-.

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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