Chemical Properties of 3-Thiopheneacetic acid, methyl ester (CAS 58414-52-1)

InChI

InChI=1S/C7H8O2S/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3

InChI Key

RZGRWVULDSXQSM-UHFFFAOYSA-N

Formula

C7H8O2S

SMILES

COC(=O)Cc1ccsc1

Molecular Weight¹

156.20

CAS

58414-52-1

Other Names

• Methyl 3-thiopheneacetate
• methyl 3-thienylacetate

• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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 3-Thiopheneacetic acid, methyl 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
• Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
• McGowan Method
• NIST Webbook

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