- InChI
- InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)
- InChI Key
- FHYMLBVGNFVFBT-UHFFFAOYSA-N
- Formula
- C6H5NO3
- SMILES
- O=C(O)c1cccc[n+]1[O-]
- Molecular Weight1
- 139.11
- CAS
- 824-40-8
- Other Names
-
- 2-Pyridinecarboxylic acid, 1-oxide
- Picolinic acid 1-oxide
- Pyridine-2-carboxylic acid N-oxide
- 2-Carboxypyridine N-oxide
- 2-Pyridinecarboxylic acid oxide
- Pyridine-2-carboxylic acid, 1-oxide
- 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 | 0.6616 | Relay (... Calculated Property | |
| ΔfG° | -70.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -209.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.16 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -0.65 | Relay (... Calculated Property | |
| logPoct/wat | 0.018 | Crippen Calculated Property | |
| McVol | 94.930 | ml/mol | McGowan Calculated Property |
| Pc | 4995.81 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 530.54 | K | Relay (... Calculated Property |
| Tc | 786.19 | K | Relay (... Calculated Property |
| Tfus | 442.27 | K | Relay (... Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Picolinic acid N-oxide.
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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