- InChI
- InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
- InChI Key
- UIDDPPKZYZTEGS-UHFFFAOYSA-N
- Formula
- C9H13N3
- SMILES
- CCc1nc(C)cn1CCC#N
- Molecular Weight1
- 163.22
- CAS
- 23996-25-0
- Other Names
-
- 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
- 1-Cyanoethyl-2-ethyl-4-methylimidazole
- 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile
- 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 | 0.5865 | Relay (... Calculated Property | |
| ΔfG° | 286.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 128.10 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -0.59 | Relay (... Calculated Property | |
| logPoct/wat | 1.668 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 2714.12 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 563.25 | K | Relay (... Calculated Property |
| Tc | 765.58 | K | Relay (... Calculated Property |
| Tfus | 316.55 | K | Relay (... Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole.
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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