- InChI
- InChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H
- InChI Key
- QLILRKBRWXALIE-UHFFFAOYSA-N
- Formula
- C5H4N2O2
- SMILES
- O=[N+]([O-])c1cccnc1
- Molecular Weight1
- 124.10
- CAS
- 2530-26-9
- 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 | 0.4475 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 141.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 ± 0.10 | eV | NIST |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.990 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 5181.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 489.20 | K | NIST |
| Tc | 772.74 | K | Relay (1.0) Calculated Property |
| Tfus | 359.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.295 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitropyridine.
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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