Chemical Properties of 2-Methylnaphth[2,3-d]oxazole (CAS 20686-66-2)

InChI

InChI=1S/C12H9NO/c1-8-13-11-6-9-4-2-3-5-10(9)7-12(11)14-8/h2-7H,1H3

InChI Key

WMIHEWJRNFUVNR-UHFFFAOYSA-N

Formula

C12H9NO

SMILES

Cc1nc2cc3ccccc3cc2o1

Molecular Weight¹

183.21

CAS

20686-66-2

Other Names

• 2-methylnaphtho[2,3-d]oxazole

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (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.
• 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

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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 2-Methylnaphth[2,3-d]oxazole.

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
• Thermodynamic properties of naphthoxazole and naphthothiazole derivatives: Experimental and computational studies
• McGowan Method
• NIST Webbook

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