- InChI
- InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
- InChI Key
- KPQZUUQMTUIKBP-UHFFFAOYSA-N
- Formula
- C7H11N3O3
- SMILES
- Cc1ncc([N+](=O)[O-])n1CC(C)O
- Molecular Weight1
- 185.18
- 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 | 0.7512 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -144.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Aq. Solubility Prediction | |
| logPoct/wat | 0.481 | Crippen Calculated Property | |
| McVol | 133.280 | ml/mol | McGowan Calculated Property |
| Pc | 3151.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 572.09 | K | Relay (1.0) Calculated Property |
| Tc | 810.74 | K | Relay (1.0) Calculated Property |
| Tfus | 367.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
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
- Aqueous Solubility Prediction Method
- McGowan Method
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