- InChI
- InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)
- InChI Key
- FLDSOXFRYVOGFK-UHFFFAOYSA-N
- Formula
- C3H2N4O4
- SMILES
-
O=[N+]([O-])c1cnc([N+](=O)[O-]
)[nH]1 - Molecular Weight1
- 158.07
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Ttriple : Triple Point Temperature (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 | 0.6322 | Relay (... Calculated Property | |
| ΔfG° | 302.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 169.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.64 | kJ/mol | Thermal... |
| ΔvapH° | 81.48 | kJ/mol | Relay (... Calculated Property |
| IE | 10.20 | eV | Relay (... Calculated Property |
| log10WS | -2.61 | Relay (... Calculated Property | |
| logPoct/wat | -0.256 | Crippen Calculated Property | |
| McVol | 88.470 | ml/mol | McGowan Calculated Property |
| Pc | 5405.94 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 536.40 | K | Relay (... Calculated Property |
| Tc | 841.88 | K | Relay (... Calculated Property |
| Tfus | 452.86 | K | Relay (... Calculated Property |
| Ttriple | 501.15 | K | Thermal... |
| Vc | 0.327 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dinitro-1H-imidazole.
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
- Thermal decomposition and kinetics of 2,4-dinitroimidazole: An insensitive high explosive
- McGowan Method
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