Chemical Properties of 2-Thiopheneacetic acid, 2-naphthyl ester

InChI

InChI=1S/C16H12O2S/c17-16(11-15-6-3-9-19-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2

InChI Key

BRWGECRHSRQMIQ-UHFFFAOYSA-N

Formula

C16H12O2S

SMILES

O=C(Cc1cccs1)Oc1ccc2ccccc2c1

Molecular Weight¹

268.33

• 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).
• I_np : Non-polar retention indices.
• 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 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 2-Thiopheneacetic acid, 2-naphthyl ester.

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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