- InChI
- InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
- InChI Key
- ZBJWWKFMHOAPNS-UHFFFAOYSA-N
- Formula
- C9H6INO4S
- SMILES
- O=S(=O)(O)c1cc(I)c(O)c2ncccc12
- Molecular Weight1
- 351.12
- CAS
- 547-91-1
- Other Names
-
- 8-hydroxy-7-iodoquinoline-5-sulfonic acid
- 8-hydroxy-7-iodoquinoline-5-sulphonic 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 | 0.8624 | Relay (1.0) Calculated Property | |
| ΔfG° | -305.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -405.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.20 | Aq. Solubility Prediction | |
| logPoct/wat | 1.792 | Crippen Calculated Property | |
| McVol | 170.080 | ml/mol | McGowan Calculated Property |
| Pc | 4579.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 657.67 | K | Relay (1.0) Calculated Property |
| Tc | 1084.44 | K | Relay (1.0) Calculated Property |
| Tfus | 532.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 8-Hydroxy-7-iodo-5-quinoline sulfonic 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
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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