- InChI
- InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
- InChI Key
- NSVPHVLZAKJSGV-UHFFFAOYSA-N
- Formula
- C9H15NS
- SMILES
- Cc1nc(CC(C)C)sc1C
- Molecular Weight1
- 169.29
- CAS
- 53498-32-1
- Other Names
-
- 4,5-Dimethyl-2-isobutylthiazole
- 2-iso-Butyl-4,5-dimethylthiazole
- 2-(2-methylpropyl)-4,5-dimethylthiazole
- Thiazole, 2-isobutyl-4,5-dimethyl
- 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 | 0.4203 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -19.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 2598.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1183.00; 1225.00] |
|
|
| Inp | 1207.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1186.00 | NIST | |
| I | [1514.00; 1517.00] |
|
|
| I | 1514.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1514.00 | NIST | |
| Tboil | 468.36 | K | Relay (1.0) Calculated Property |
| Tc | 697.68 | K | Relay (1.0) Calculated Property |
| Tfus | 241.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 4,5-dimethyl-2-(2-methylpropyl)-.
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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