- InChI
- InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
- InChI Key
- ATRJNSFQBYKFSM-UHFFFAOYSA-N
- Formula
- C4H2Br2S
- SMILES
- Brc1ccsc1Br
- Molecular Weight1
- 241.93
- CAS
- 3140-93-0
- Other Names
-
- 2,3-Dibromothiophene
- 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.
- 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 | 0.2976 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 149.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.273 | Crippen Calculated Property | |
| McVol | 99.110 | ml/mol | McGowan Calculated Property |
| Pc | 4989.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1227.00; 1227.00] |
|
|
| Inp | 1227.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Tboil | 491.70 | K | NIST |
| Tc | 743.59 | K | Relay (1.0) Calculated Property |
| Tfus | 273.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,3-dibromo-.
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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