- InChI
- InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
- InChI Key
- OMUADEPNIQXNRG-UHFFFAOYSA-N
- Formula
- C5H6N4O2
- SMILES
- Nc1cncc([N+](=O)[O-])c1N
- Molecular Weight1
- 154.13
- CAS
- 4318-68-7
- Other Names
-
- 3,4-Diamino-5-nitropyridine
- 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 | 0.6701 | Relay (... Calculated Property | |
| ΔfG° | 291.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 149.36 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -2.28 | Relay (... Calculated Property | |
| logPoct/wat | 0.154 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 4538.12 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 598.60 | K | Relay (... Calculated Property |
| Tc | 901.89 | K | Relay (... Calculated Property |
| Tfus | 512.78 | K | Relay (... Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Pyridinediamine, 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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