- InChI
- InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChI Key
- RXKNNAKAVAHBNK-UHFFFAOYSA-N
- Formula
- C5H4N2O3
- SMILES
- O=[N+]([O-])c1cc[n+]([O-])cc1
- Molecular Weight1
- 140.10
- CAS
- 1124-33-0
- Other Names
-
- 4-Nitropyridine 1-oxide
- 4-Nitropyridine N-oxide
- 4-Nitropyridine oxide
- 4-nitropyridine-N-oxide
- Avitrol 100
- Pyridine-1-oxide, 4-nitro-
- p-Nitropyridine N-oxide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 868.00 | kJ/mol | NIST |
| BasG | 837.30 | kJ/mol | NIST |
| ΔcH°solid | [-2556.30; -2551.00] | kJ/mol |
|
| ΔcH°solid | -2556.30 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -2551.00 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | 126.00 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | [11.70; 17.10] | kJ/mol |
|
| ΔfH°solid | 17.10 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | 11.70 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | [89.10; 108.90] | kJ/mol |
|
| ΔsubH° | 108.90 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 108.90 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 89.10 ± 2.50 | kJ/mol | NIST |
| log10WS | -0.69 | Aq. Sol... | |
| logPoct/wat | 0.228 | Crippen Calculated Property | |
| McVol | 90.820 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 89.10 ± 2.50 | kJ/mol | 323.00 | NIST |
Similar Compounds
Find more compounds similar to Pyridine, 4-nitro-, 1-oxide.
Sources
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