- InChI
- InChI=1S/C9H15NS/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
- InChI Key
- OHJFDYDPHXVQBC-UHFFFAOYSA-N
- Formula
- C9H15NS
- SMILES
- CCCCc1nc(C)c(C)s1
- Molecular Weight1
- 169.29
- CAS
- 76572-48-0
- Other Names
-
- 2-n-Butyl-4,5-dimethylthiazole
- 2-Butyl-4,5-dimethyl-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 | 0.4486 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -3.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 2657.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1251.00; 1287.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1287.00 | NIST | |
| I | [1600.00; 1658.00] |
|
|
| I | 1658.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 488.93 | K | Relay (1.0) Calculated Property |
| Tc | 703.29 | K | Relay (1.0) Calculated Property |
| Tfus | 241.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2-butyl-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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