- 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
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.3369 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 85.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.00 ± 3.90 | kJ/mol | NIST |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.903 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Pc | 4584.71 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [990.00; 991.00] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 990.00 | NIST | |
| I | [1714.00; 1714.00] |
|
|
| I | 1714.00 | NIST | |
| I | 1714.00 | NIST | |
| Tboil | 482.61 | K | Relay (1.0) Calculated Property |
| Tc | 644.15 | K | Relay (1.0) Calculated Property |
| Tfus | 236.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
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
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