- InChI
- InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
- InChI Key
- JLZXSFPSJJMRIX-UHFFFAOYSA-N
- Formula
- C4H5N3O2
- SMILES
- Cn1cncc1[N+](=O)[O-]
- Molecular Weight1
- 127.10
- CAS
- 3034-42-2
- Other Names
-
- Imidazole, 1-methyl-5-nitro-
- 1-Methyl-5-nitroimidazole
- 1-Methyl-5-nitro-1H-imidazole
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.5027 | Relay (... Calculated Property | |
| PAff | 895.30 | kJ/mol | NIST |
| BasG | 863.50 | kJ/mol | NIST |
| ΔfG° | 279.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 127.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 61.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -1.06 | Relay (... Calculated Property | |
| logPoct/wat | 0.328 | Crippen Calculated Property | |
| McVol | 85.140 | ml/mol | McGowan Calculated Property |
| Pc | 5054.80 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 535.28 | K | Relay (... Calculated Property |
| Tc | 767.08 | K | Relay (... Calculated Property |
| Tfus | 366.11 | K | Relay (... Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Imidazole, 1-methyl-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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