Chemical Properties of Benzo[b]thiophene, 2-ethyl-5,7-dimethyl- (CAS 18428-05-2)

InChI

InChI=1S/C12H14S/c1-4-11-7-10-6-8(2)5-9(3)12(10)13-11/h5-7H,4H2,1-3H3

InChI Key

SEUHVQFYOBCERO-UHFFFAOYSA-N

Formula

C12H14S

SMILES

CCc1cc2cc(C)cc(C)c2s1

Molecular Weight¹

190.31

CAS

18428-05-2

Other Names

• Benzothiophene, 2-ethyl-5,7-dimethyl

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 Benzo[b]thiophene, 2-ethyl-5,7-dimethyl-.

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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