Chemical Properties of Benzoselenadiazole, 5,6-dimethyl-2,1,3-

InChI

InChI=1S/C8H8N2Se/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3

InChI Key

JXAGKGMQYSONPB-UHFFFAOYSA-N

Formula

C8H8N2Se

SMILES

Cc1cc2n[se]nc2cc1C

Molecular Weight¹

211.13

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Benzoselenadiazole, 5,6-dimethyl-2,1,3-.

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
• NIST Webbook

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