- InChI
- InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
- InChI Key
- QCWTWMJMLSKQCJ-UHFFFAOYSA-N
- Formula
- C6H5NO3
- SMILES
- O=C(O)c1cc[n+]([O-])cc1
- Molecular Weight1
- 139.11
- CAS
- 13602-12-5
- Other Names
-
- 4-Pyridinecarboxylic acid, 1-oxide
- 4-pyridinecarboxylic acid N-oxide
- Pyridine-4-carboxylic acid N-oxide
- pyridin-N-oxide-4-carboxylic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.6760 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -241.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 136.10 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 98.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.018 | Crippen Calculated Property | |
| McVol | 94.930 | ml/mol | McGowan Calculated Property |
| Pc | 4922.75 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 546.55 | K | Relay (1.0) Calculated Property |
| Tc | 784.54 | K | Relay (1.0) Calculated Property |
| Tfus | 541.65 | K | Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinic 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
- Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation
- McGowan Method
- NIST Webbook
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