- InChI
- InChI=1S/C8H13NS/c1-3-4-5-8-9-7(2)6-10-8/h6H,3-5H2,1-2H3
- InChI Key
- HVRMJTCTZVGJDO-UHFFFAOYSA-N
- Formula
- C8H13NS
- SMILES
- CCCCc1nc(C)cs1
- Molecular Weight1
- 155.26
- CAS
- 76572-47-9
- Other Names
-
- 2-n-Butyl-4-methylthiazole
- 2-butyl-4-methyl-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.
- 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 | 0.4294 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 17.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 51.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.794 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 2954.71 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1141.00; 1222.00] |
|
|
| Inp | 1222.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| I | 1500.00 | NIST | |
| Tboil | 472.91 | K | Relay (1.0) Calculated Property |
| Tc | 685.61 | K | Relay (1.0) Calculated Property |
| Tfus | 215.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2-butyl-4-methyl-.
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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