- InChI
- InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3
- InChI Key
- FTTIAVRPJGCXAC-UHFFFAOYSA-N
- Formula
- C6H6N2O3
- SMILES
- Cc1cc([N+](=O)[O-])cc[n+]1[O-]
- Molecular Weight1
- 154.12
- CAS
- 5470-66-6
- Other Names
-
- 4-Nitro-2-methylpyridine N-oxide
- Pyridine, 2-methyl-4-nitro-, 1-oxide
- 2-Methyl-4-nitropyridine 1-oxide
- 2-Methyl-4-nitropyridine N-oxide
- 4-Nitro-«alpha»-picoline N-oxide
- 4-Nitro-2-methylpyridine 1-oxide
- 2-Picoline, 4-nitro-, 1-oxide
- NSC 27962
- 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 | 0.5244 | Relay (... Calculated Property | |
| ΔfG° | 243.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 93.78 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -1.13 | Relay (... Calculated Property | |
| logPoct/wat | 0.537 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 4564.35 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 523.12 | K | Relay (... Calculated Property |
| Tc | 771.87 | K | Relay (... Calculated Property |
| Tfus | 396.24 | K | Relay (... Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitro-2-picoline 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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