- InChI
- InChI=1S/C7H11NS/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3
- InChI Key
- QOJMQILDLLFGEE-UHFFFAOYSA-N
- Formula
- C7H11NS
- SMILES
- CCCCc1nccs1
- Molecular Weight1
- 141.23
- CAS
- 37645-61-7
- Other Names
-
- 2-butylthiazole
- 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 | 0.3818 | Relay (1.0) Calculated Property | |
| ΔfG° | 173.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.486 | Crippen Calculated Property | |
| McVol | 116.360 | ml/mol | McGowan Calculated Property |
| Pc | 3313.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1070.00; 1070.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1070.00 | NIST | |
| I | 1480.00 | NIST | |
| Tboil | 463.09 | K | Relay (1.0) Calculated Property |
| Tc | 676.11 | K | Relay (1.0) Calculated Property |
| Tfus | 202.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2-butyl.
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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