Chemical Properties of Benzo[2,3]phenanthro[4,5]thiophene, 5-methyl

InChI

InChI=1S/C19H12S/c1-11-9-13-6-4-8-16-17(13)18-15(11)10-12-5-2-3-7-14(12)19(18)20-16/h2-10H,1H3

InChI Key

GCLNPEMLBVZXFW-UHFFFAOYSA-N

Formula

C19H12S

SMILES

Cc1cc2cccc3sc4c5ccccc5cc1c4c23

Molecular Weight¹

272.36

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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 formation 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 Benzo[2,3]phenanthro[4,5]thiophene, 5-methyl.

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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