- InChI
- InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3
- InChI Key
- XPQULTFBJPGINB-UHFFFAOYSA-N
- Formula
- C6H9NS
- SMILES
- CCc1scnc1C
- Molecular Weight1
- 127.21
- CAS
- 31883-01-9
- Other Names
-
- 5-Ethyl-4-methylthiazole
- Thiazole, 5-ethyl-4-methyl-
- 5-Ethyl-4-methyl-1,3-thiazole
- Thiazole, 4-methyl-5-ethyl
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3223 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 38.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 47.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.014 | Crippen Calculated Property | |
| McVol | 102.270 | ml/mol | McGowan Calculated Property |
| Pc | 3994.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [986.00; 1039.00] |
|
|
| Inp | 1004.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | Outlier 1039.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 986.00 | NIST | |
| I | [1440.00; 1467.00] |
|
|
| I | 1467.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1446.00 | NIST | |
| Tboil | 440.21 | K | Relay (1.0) Calculated Property |
| Tc | 650.91 | K | Relay (1.0) Calculated Property |
| Tfus | 229.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [351.70; 443.20] | K | [3.30; 99.30] |
|
| Tboilr | 351.70 | K | 3.30 | NIST |
| Tboilr | 443.20 | K | 99.30 | NIST |
Similar Compounds
Find more compounds similar to 4-Methyl-5-ethylthiazole.
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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.