- InChI
- InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChI Key
- BOFAIBPJCWFJFT-UHFFFAOYSA-N
- Formula
- C6H7NO2
- SMILES
- COc1cc[n+]([O-])cc1
- Molecular Weight1
- 125.13
- CAS
- 1122-96-9
- Other Names
-
- 4-Methoxypyridine-N-oxide
- Pyridinium,1-hydroxy-4-methoxy-,hydroxide,inner salt
- 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 | 0.4177 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -13.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.74; 7.98] | eV |
|
| IE | 7.98 ± 0.05 | eV | NIST |
| IE | 7.89 | eV | NIST |
| IE | 7.74 ± 0.05 | eV | NIST |
| log10WS | -0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.329 | Crippen Calculated Property | |
| McVol | 93.360 | ml/mol | McGowan Calculated Property |
| Pc | 4459.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 496.14 | K | Relay (1.0) Calculated Property |
| Tc | 681.95 | K | Relay (1.0) Calculated Property |
| Tfus | 388.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.311 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 4-methoxy-1-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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