Chemical Properties of 4-Methyl-6-oxo-1,3,3a,7-tetrazaindene (CAS 5217-59-4)

InChI

InChI=1S/C6H6N4O/c1-4-2-5(11)9-6-7-3-8-10(4)6/h2-3H,1H3,(H,7,8,9,11)

InChI Key

BOPVGQUDDIEQAO-UHFFFAOYSA-N

Formula

C6H6N4O

SMILES

Cc1cc(=O)[nH]c2ncnn12

Molecular Weight¹

150.14

CAS

5217-59-4

• 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 4-Methyl-6-oxo-1,3,3a,7-tetrazaindene.

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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