Chemical Properties of 4-Pyridineethanesulfonic acid

InChI

InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)

InChI Key

RGIIAYDCZSXHGL-UHFFFAOYSA-N

Formula

C7H9NO3S

SMILES

O=S(=O)(O)CCc1ccncc1

Molecular Weight¹

187.22

Other Names

• 2-(4-Pyridyl)ethanesulfonic acid
• 2-(4-pyridyl)ethanesulphonic acid
• 4-Pyridyl-2-ethyl sulfonic acid
• 4-Pyridylethylsulfonic acid
• «beta»-(4-Pyridyl)ethanesulfonic acid

• 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, 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 4-Pyridineethanesulfonic acid.

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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