- InChI
- InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
- InChI Key
- IHFXZROPBCBLLG-UHFFFAOYSA-N
- Formula
- C5H4Br2S
- SMILES
- Cc1cc(Br)sc1Br
- Molecular Weight1
- 255.96
- CAS
- 13191-36-1
- Other Names
-
- Thiophene, 2,5-dibromo-3-methyl-
- 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 | 0.3385 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 140.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.582 | Crippen Calculated Property | |
| McVol | 113.200 | ml/mol | McGowan Calculated Property |
| Pc | 4560.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 472.69 | K | Relay (1.0) Calculated Property |
| Tc | 728.62 | K | Relay (1.0) Calculated Property |
| Tfus | 294.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dibromo-3-methylthiophene.
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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