Chemical Properties of Benzo[b]phenanthro[3,2-d]thiophene, 13-methyl

InChI

InChI=1S/C21H14S/c1-13-20-15(11-10-14-6-2-3-7-16(14)20)12-19-21(13)17-8-4-5-9-18(17)22-19/h2-12H,1H3

InChI Key

XKKTZRYYTVHXDG-UHFFFAOYSA-N

Formula

C21H14S

SMILES

Cc1c2c(ccc3ccccc32)cc2sc3ccccc3c12

Molecular Weight¹

298.40

• 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).
• 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

Similar Compounds

Find more compounds similar to Benzo[b]phenanthro[3,2-d]thiophene, 13-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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