Chemical Properties of 2,3,6-trimethyl-benzothiophene

InChI

InChI=1S/C11H12S/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3

InChI Key

NETYMFPERAKHQJ-UHFFFAOYSA-N

Formula

C11H12S

SMILES

Cc1ccc2c(C)c(C)sc2c1

Molecular Weight¹

176.28

Other Names

• 2,3,6-trimethyl-benzothiophene

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 2,3,6-trimethyl-benzothiophene.

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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