- InChI
- InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H
- InChI Key
- PUCOOPJLAXJKOO-UHFFFAOYSA-N
- Formula
- C9H7N3O2
- SMILES
- O=[N+]([O-])c1ccc(-n2ccnc2)cc1
- Molecular Weight1
- 189.17
- CAS
- 2301-25-9
- Other Names
-
- 1-(4-Nitrophenyl)-1H-imidazole
- 1H-Imidazole, 1-(4-nitrophenyl)-
- 1-(4-Nitrophenyl)imidazole
- 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 | 0.5808 | Relay (1.0) Calculated Property | |
| ΔfG° | 365.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 245.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.780 | Crippen Calculated Property | |
| McVol | 131.830 | ml/mol | McGowan Calculated Property |
| Pc | 4679.43 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 607.35 | K | Relay (1.0) Calculated Property |
| Tc | 903.22 | K | Relay (1.0) Calculated Property |
| Tfus | 440.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Imidazole, 1-(p-nitrophenyl)-.
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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