Chemical Properties of p-(1H-1,2,4-Triazol-1-yl) phenol (CAS 68337-15-5)

InChI

InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H

InChI Key

ZOPIBCDDKMAEII-UHFFFAOYSA-N

Formula

C8H7N3O

SMILES

Oc1ccc(-n2cncn2)cc1

Molecular Weight¹

161.16

CAS

68337-15-5

Other Names

• 4-(1,2,4-Triazol-1-yl)phenol
• Phenol, 4-(1H-1,2,4-triazol-1-yl)-
• 4-(1H-1,2,4-triazol-1-yl)phenol

• 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 p-(1H-1,2,4-Triazol-1-yl) phenol.

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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