- InChI
- InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3
- InChI Key
- QPUIPSFYQGKAFL-UHFFFAOYSA-N
- Formula
- C6H7NOS
- SMILES
- CC(=O)c1nc(C)cs1
- Molecular Weight1
- 141.19
- Other Names
-
- Thiazole, 2-acetyl-4-methyl
- 4-methyl-2-acetylthiazole
- Ethanone, 1-(4-methyl-2-thiazolyl)-
- 1-(5-methyl-1,3-thiazol-2-yl)ethanone
- 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.
- 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 | 0.4237 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -64.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.654 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 4352.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1076.00; 1136.00] |
|
|
| Inp | 1136.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1136.00 | NIST | |
| I | [1665.00; 1685.00] |
|
|
| I | 1685.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1668.00 | NIST | |
| Tboil | 480.77 | K | Relay (1.0) Calculated Property |
| Tc | 708.24 | K | Relay (1.0) Calculated Property |
| Tfus | 308.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetyl-4-methylthiazole.
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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