- InChI
- InChI=1S/C8H13NS/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
- InChI Key
- VCGGTZJUUXVOOJ-UHFFFAOYSA-N
- Formula
- C8H13NS
- SMILES
- CCCc1nc(C)c(C)s1
- Molecular Weight1
- 155.26
- CAS
- 41981-72-0
- Other Names
-
- 4,5-Dimethyl-2-propylthiazole
- 2-Propyl-4,5-dimethyI-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 | 0.4091 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 20.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 2932.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1151.00; 1180.00] |
|
|
| Inp | 1153.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1180.00 | NIST | |
| I | [1500.00; 1500.00] |
|
|
| I | 1500.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1500.00 | NIST | |
| Tboil | 468.10 | K | Relay (1.0) Calculated Property |
| Tc | 686.83 | K | Relay (1.0) Calculated Property |
| Tfus | 242.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 4,5-dimethyl-2-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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