- InChI
- InChI=1S/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
- InChI Key
- DALUCNUGMDNXET-UHFFFAOYSA-N
- Formula
- C7H11NS
- SMILES
- CCc1sc(C)nc1C
- Molecular Weight1
- 141.23
- CAS
- 38205-61-7
- Other Names
-
- 2,4-Dimethyl-5-ethylthiazole
- 5-Ethyl-2,4-dimethylthiazole
- 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 | 0.3631 | Relay (1.0) Calculated Property | |
| ΔfG° | 141.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 22.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 116.360 | ml/mol | McGowan Calculated Property |
| Pc | 3280.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1047.00; 1078.00] |
|
|
| Inp | 1072.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1078.00 | NIST | |
| I | [1428.00; 1455.00] |
|
|
| I | 1438.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1443.00 | NIST | |
| I | 1450.00 | NIST | |
| I | 1455.00 | NIST | |
| I | 1435.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1428.00 | NIST | |
| Tboil | 454.83 | K | Relay (1.0) Calculated Property |
| Tc | 659.53 | K | Relay (1.0) Calculated Property |
| Tfus | 249.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 5-ethyl-2,4-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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