- InChI
- InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
- InChI Key
- BVOKJOZBJOWZNJ-UHFFFAOYSA-N
- Formula
- C7H11NS
- SMILES
- CCc1nc(C)c(C)s1
- Molecular Weight1
- 141.23
- CAS
- 873-64-3
- Other Names
-
- 2-Ethyl-4,5-dimethylthiazole
- 4,5-Dimethyl-2-ethylthiazole
- 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 | 0.3654 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 32.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 116.360 | ml/mol | McGowan Calculated Property |
| Pc | 3324.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1060.00; 1105.00] |
|
|
| Inp | 1077.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1105.00 | NIST | |
| I | [1429.00; 1442.00] |
|
|
| I | 1439.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1441.00 | NIST | |
| I | 1442.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1439.00 | NIST | |
| Tboil | 454.36 | K | Relay (1.0) Calculated Property |
| Tc | 670.10 | K | Relay (1.0) Calculated Property |
| Tfus | 248.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2-ethyl-4,5-dimethyl-.
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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