- InChI
- InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
- InChI Key
- RXNZFHIEDZEUQM-UHFFFAOYSA-N
- Formula
- C3H2BrNS
- SMILES
- Brc1nccs1
- Molecular Weight1
- 164.02
- CAS
- 3034-53-5
- Other Names
-
- 2-Bromo-1,3-thiazole
- 2-Bromothiazole
- 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).
- 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 | 0.2590 | Relay (1.0) Calculated Property | |
| ΔfG° | 177.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 190.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 77.500 | ml/mol | McGowan Calculated Property |
| Pc | 5995.23 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | [444.00; 444.20] | K |
|
| Tboil | 444.20 | K | NIST |
| Tboil | 444.00 | K | NIST |
| Tc | 706.74 | K | Relay (1.0) Calculated Property |
| Tfus | 252.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.268 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole, 2-bromo-.
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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