- InChI
- InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
- InChI Key
- IWDFHWZHHOSSGR-UHFFFAOYSA-N
- Formula
- C5H8N2
- SMILES
- CCn1ccnc1
- Molecular Weight1
- 96.13
- CAS
- 7098-07-9
- Other Names
-
- 1-ethyl-1H-imidazole
- 1-ethylimidazole
- Imidazole, 1-ethyl-
- N-Ethylimidazole
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 66.00 ± 3.90 | kJ/mol | NIST |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.903 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Inp | [990.00; 991.00] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 991.00 | NIST | |
| I | [1714.00; 1714.00] |
|
|
| I | 1714.00 | NIST | |
| I | 1714.00 | NIST | |
| Tboil | 482.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 57.53 | kJ/mol | 298.15 | Thermochemistry of 1-alkylimidazoles |
| ρl | [974.80; 998.60] | kg/m3 | [293.15; 323.15] |
|
| ρl | 998.60 | kg/m3 | 293.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 995.20 | kg/m3 | 298.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 991.30 | kg/m3 | 303.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 987.40 | kg/m3 | 308.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 983.50 | kg/m3 | 313.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 978.70 | kg/m3 | 318.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
| ρl | 974.80 | kg/m3 | 323.15 | Towards understanding the effect of electrostatic interactions on the density of ionic liquids |
Similar Compounds
Find more compounds similar to 1H-Imidazole, 1-ethyl-.
Mixtures
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
- Towards understanding the effect of electrostatic interactions on the density of ionic liquids
- Thermochemistry of 1-alkylimidazoles
- Ternary Liquid-Liquid Equilibria Measurement for Benzene + Cyclohexane + N-Methylimidazole, or N-Ethylimidazole, or N-Methylimidazolium Dibutylphosphate at 298.2 K and Atmospheric Pressure
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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