- InChI
- InChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
- InChI Key
- BNONKJGVAXAEFW-UHFFFAOYSA-N
- Formula
- C8H13NS
- SMILES
- CCCc1sc(C)nc1C
- Molecular Weight1
- 155.26
- CAS
- 41981-70-8
- Other Names
-
- 2,4-Dimethyl-5-propylthiazole
- 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 | 0.4070 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 11.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 2895.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1153.00; 1157.00] |
|
|
| Inp | 1157.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1157.00 | NIST | |
| I | [1515.00; 1515.00] |
|
|
| I | 1515.00 | NIST | |
| I | 1515.00 | NIST | |
| I | 1515.00 | NIST | |
| Tboil | 471.93 | K | Relay (1.0) Calculated Property |
| Tc | 675.99 | K | Relay (1.0) Calculated Property |
| Tfus | 235.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2,4-dimethyl-5-propyl-.
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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