Chemical Properties of 3,4,6-trimethyl-dibenzothiophene

InChI

InChI=1S/C15H14S/c1-9-7-8-13-12-6-4-5-10(2)14(12)16-15(13)11(9)3/h4-8H,1-3H3

InChI Key

YLQMZDMZBCCESE-UHFFFAOYSA-N

Formula

C15H14S

SMILES

Cc1ccc2c(sc3c(C)cccc32)c1C

Molecular Weight¹

226.34

Other Names

• Dibenzothiophene, 3,4,6-trimethyl

• 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.
• 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 vaporization at standard conditions for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 3,4,6-trimethyl-dibenzothiophene.

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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