- InChI
- InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
- InChI Key
- BLQOKWQUTLNKON-UHFFFAOYSA-N
- Formula
- C7H9NOS
- SMILES
- CC(=O)c1sc(C)nc1C
- Molecular Weight1
- 155.22
- CAS
- 38205-60-6
- Other Names
-
- 2,4-Dimethyl-5-acetylthiazole
- Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-
- 5-Acetyl-2,4-dimethyltriazole
- Thiazole, 5-acetyl-2,4-dimethyl
- 1-(2,4-dimethylthiazol-5-yl)ethan-1-one
- 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 | 0.4436 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -105.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 117.930 | ml/mol | McGowan Calculated Property |
| Pc | 3681.36 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1217.00 | NIST | |
| I | [1835.00; 1835.00] |
|
|
| I | 1835.00 | NIST | |
| I | 1835.00 | NIST | |
| Tboil | 497.88 | K | Relay (1.0) Calculated Property |
| Tc | 729.28 | K | Relay (1.0) Calculated Property |
| Tfus | 340.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Acetyl-2,4-dimethylthiazole.
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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