- 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
- CAS
- 53054-76-5
- Other Names
-
- 2-(4-Pyridyl)ethanesulfonic acid
- 4-Pyridyl-2-ethyl sulfonic acid
- «beta»-(4-Pyridyl)ethanesulfonic acid
- 4-Pyridylethylsulfonic acid
- 2-(4-pyridyl)ethanesulphonic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7624 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -388.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.512 | Crippen Calculated Property | |
| McVol | 129.670 | ml/mol | McGowan Calculated Property |
| Pc | 4008.66 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 597.85 | K | Relay (1.0) Calculated Property |
| Tc | 888.57 | K | Relay (1.0) Calculated Property |
| Tfus | 461.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
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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