Chemical Properties of 2-Chlorobenzo[b]thiophene-3-acetonitrile

InChI

InChI=1S/C10H6ClNS/c11-10-8(5-6-12)7-3-1-2-4-9(7)13-10/h1-4H,5H2

InChI Key

CBWNFQCLFYLDJQ-UHFFFAOYSA-N

Formula

C10H6ClNS

SMILES

N#CCc1c(Cl)sc2ccccc12

Molecular Weight¹

207.69

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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-Chlorobenzo[b]thiophene-3-acetonitrile.

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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