- InChI
- InChI=1S/C4HBr2ClO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
- InChI Key
- WJYGHWXWQSCONR-UHFFFAOYSA-N
- Formula
- C4HBr2ClO2S2
- SMILES
- O=S(=O)(Cl)c1cc(Br)c(Br)s1
- Molecular Weight1
- 340.44
- CAS
- 81606-31-7
- Other Names
-
- 4,5-Dibromothiophene-2-sulfonyl chloride
- 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 | 0.5079 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -181.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.201 | Crippen Calculated Property | |
| McVol | 139.440 | ml/mol | McGowan Calculated Property |
| Pc | 4430.27 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 580.75 | K | Relay (1.0) Calculated Property |
| Tc | 875.57 | K | Relay (1.0) Calculated Property |
| Tfus | 402.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dibromothiophene-5-sulfonyl chloride.
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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