- InChI
- InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChI Key
- CFZKDDTWZYUZKS-UHFFFAOYSA-N
- Formula
- C6H7NO
- SMILES
- Cc1cccc[n+]1[O-]
- Molecular Weight1
- 109.13
- CAS
- 931-19-1
- Other Names
-
- «alpha»-Picoline N-oxide
- 2-Picoline, 1-oxide
- «alpha»-Picoline 1-oxide
- 2-Methylpyridine N-oxide
- 2-Methylpyridine 1-oxide
- 2-Picoline-N-oxide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.3102 | Relay (1.0) Calculated Property | |
| ΔfG° | 217.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 115.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 10.30 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | [78.20; 92.90] | kJ/mol |
|
| ΔsubH° | 92.90 ± 1.90 | kJ/mol | NIST |
| ΔsubH° | 78.20 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | 56.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 ± 0.02 | eV | NIST |
| log10WS | 0.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.628 | Crippen Calculated Property | |
| McVol | 87.490 | ml/mol | McGowan Calculated Property |
| Pc | 4972.40 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 439.12 | K | Relay (1.0) Calculated Property |
| Tc | 668.04 | K | Relay (1.0) Calculated Property |
| Tfus | 348.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.289 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 2-methyl-, 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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