- InChI
- InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
- InChI Key
- IGBZCOWXSCWSHO-UHFFFAOYSA-N
- Formula
- C6H5BrOS
- SMILES
- CC(=O)c1ccc(Br)s1
- Molecular Weight1
- 205.07
- CAS
- 5370-25-2
- Other Names
-
- 5-Bromo-2-thienyl methyl ketone
- 5-Bromo 2-acetylthiophene
- Ethanone, 1-(5-bromo-2-thienyl)-
- Ketone, 5-bromo-2-thienyl methyl
- 1-(5-bromo-2-thienyl)ethan-1-one
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3962 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -65.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.713 | Crippen Calculated Property | |
| McVol | 111.360 | ml/mol | McGowan Calculated Property |
| Pc | 4414.35 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 503.64 | K | Relay (1.0) Calculated Property |
| Tc | 747.57 | K | Relay (1.0) Calculated Property |
| Tfus | 367.00 | K | NIST |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [376.20; 378.00] | K | [0.03; 0.50] |
|
| Tboilr | 378.00 | K | 0.03 | NIST |
| Tboilr | 376.20 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Acetyl-5-bromothiophene.
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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