- InChI
- InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
- InChI Key
- VIHYIVKEECZGOU-UHFFFAOYSA-N
- Formula
- C5H6N2O
- SMILES
- CC(=O)n1ccnc1
- Molecular Weight1
- 110.11
- CAS
- 2466-76-4
- Other Names
-
- Imidazole, 1-acetyl-
- Acetylimidazole
- N-Acetylimidazole
- 1-Acetylimidazole
- Imidazole, N-acetyl-
- 1-Acetyl-1H-imidazole
- 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).
- Inp : Non-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 | 0.4293 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -68.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | NIST |
| log10WS | 0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.543 | Crippen Calculated Property | |
| McVol | 83.380 | ml/mol | McGowan Calculated Property |
| Pc | 5221.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1054.00 | NIST | |
| Tboil | 516.85 | K | Relay (1.0) Calculated Property |
| Tc | 734.32 | K | Relay (1.0) Calculated Property |
| Tfus | 375.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.309 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Imidazole, 1-acetyl-.
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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