- InChI
- InChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
- InChI Key
- AYEGWZGUAQDVNB-UHFFFAOYSA-N
- Formula
- C9H15NS
- SMILES
- CCc1sc(C(C)C)nc1C
- Molecular Weight1
- 169.29
- Other Names
-
- 2-isopropyl-4-methyl-5-ethyl thiazole
- 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.
- 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 | 0.4160 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -27.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.137 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 2581.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1179.00; 1179.00] |
|
|
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Tboil | 469.12 | K | Relay (1.0) Calculated Property |
| Tc | 684.67 | K | Relay (1.0) Calculated Property |
| Tfus | 274.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Ethyl-2-isopropyl-4-methyl-thiazole.
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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