- InChI
- InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
- InChI Key
- PQAMFDRRWURCFQ-UHFFFAOYSA-N
- Formula
- C5H8N2
- SMILES
- CCc1ncc[nH]1
- Molecular Weight1
- 96.13
- CAS
- 1072-62-4
- Other Names
-
- 2-ethyl-1H-imidazole
- 2-ethylimidazole
- imidazole, 2-ethyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3089.60 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | 68.30 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | -21.30 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | [89.60; 89.60] | kJ/mol |
|
| ΔsubH° | 89.60 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 89.60 | kJ/mol | NIST |
| ΔsubH° | 89.60 ± 0.40 | kJ/mol | NIST |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Tboil | 541.20 | K | NIST |
| Tfus | 351.51 | K | Relay (1.0) Calculated Property |
| Ttriple | 282.00 | K | Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 |
|---|---|---|---|---|
| Cp,solid | 147.08 | J/mol×K | 298.15 | NIST |
| ΔsubH | 89.20 ± 0.40 | kJ/mol | 312.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Imidazole, 2-ethyl-.
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
- Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
- 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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