- InChI
- InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
- InChI Key
- YKHQFTANTNMYPP-UHFFFAOYSA-N
- Formula
- C5H4BrNO
- SMILES
- Oc1cccnc1Br
- Molecular Weight1
- 174.00
- CAS
- 6602-32-0
- Other Names
-
- 2-Bromo-3-hydroxypyridine
- 2-Bromo-3-pyridinol
- 2-bromopyridin-3-ol
- 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 | 0.4912 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -9.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.550 | Crippen Calculated Property | |
| McVol | 90.900 | ml/mol | McGowan Calculated Property |
| Pc | 6615.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 510.45 | K | Relay (1.0) Calculated Property |
| Tc | 789.85 | K | Relay (1.0) Calculated Property |
| Tfus | 311.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pyridinol, 2-bromo-.
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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