Chemical Properties of Benzo[b]thiophene, 2-propyl- (CAS 16587-32-9)

InChI

InChI=1S/C11H12S/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8H,2,5H2,1H3

InChI Key

IBJARYHUXSJWRZ-UHFFFAOYSA-N

Formula

C11H12S

SMILES

CCCc1cc2ccccc2s1

Molecular Weight¹

176.28

CAS

16587-32-9

Other Names

• 2-Propylbenzothiophene
• Benzothiophene, 2-propyl

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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 Benzo[b]thiophene, 2-propyl-.

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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