Chemical Properties of 1H-Benzotriazole, 1-(benzylideneamino)- (CAS 23589-43-7)

InChI

InChI=1S/C13H10N4/c1-2-6-11(7-3-1)10-14-17-13-9-5-4-8-12(13)15-16-17/h1-10H

InChI Key

KSFYLQMDWMTUSD-UHFFFAOYSA-N

Formula

C13H10N4

SMILES

C(=Nn1nnc2ccccc21)c1ccccc1

Molecular Weight¹

222.25

CAS

23589-43-7

Other Names

• N-[Phenylmethylidene]-1H-1,2,3-benzotriazol-1-amine
• 1-Benzylideneamino-1,2,3-benzotriazole

• 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 1H-Benzotriazole, 1-(benzylideneamino)-.

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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