- InChI
- InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
- InChI Key
- SIOXPEMLGUPBBT-UHFFFAOYSA-N
- Formula
- C6H5NO2
- SMILES
- O=C(O)c1ccccn1
- Molecular Weight1
- 123.11
- CAS
- 98-98-6
- Other Names
-
- Picolinic acid
- «alpha»-Pyridinecarboxylic acid
- o-Pyridinecarboxylic acid
- 2-Carboxypyridine
- 2-Picolinic acid
- Pyridinecarboxylic acid-(2)
- Acide picolique
- Pyridine-carboxylique-2
- NSC 171
- pyridine-2-carboxylic 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 | 0.6439 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -237.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.780 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| Pc | 5204.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 537.97 | K | Relay (1.0) Calculated Property |
| Tc | 787.23 | K | Relay (1.0) Calculated Property |
| Tfus | 395.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyridinecarboxylic 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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