- InChI
- InChI=1S/C6H5N3O3/c7-6(10)5-2-1-4(3-8-5)9(11)12/h1-3H,(H2,7,10)
- InChI Key
- JGLGOTZFQGEALJ-UHFFFAOYSA-N
- Formula
- C6H5N3O3
- SMILES
- NC(=O)c1ccc([N+](=O)[O-])cn1
- Molecular Weight1
- 167.12
- CAS
- 59290-34-5
- 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 | 0.6858 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -61.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.089 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 4559.36 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 564.81 | K | Relay (1.0) Calculated Property |
| Tc | 856.67 | K | Relay (1.0) Calculated Property |
| Tfus | 471.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Picolinamide, 5-nitro-.
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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