- InChI
- InChI=1S/C9H8BrN3O2S/c10-8-9(12-6-11-8)16(14,15)13-7-4-2-1-3-5-7/h1-6,13H,(H,11,12)
- InChI Key
- GPELLZGCGDMSBS-UHFFFAOYSA-N
- Formula
- C9H8BrN3O2S
- SMILES
- O=S(=O)(Nc1ccccc1)c1[nH]cnc1Br
- Molecular Weight1
- 302.15
- CAS
- 99903-07-8
- 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 | 0.6457 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -67.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.491 | Crippen Calculated Property | |
| McVol | 169.980 | ml/mol | McGowan Calculated Property |
| Pc | 4698.44 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 655.15 | K | Relay (1.0) Calculated Property |
| Tc | 1030.94 | K | Relay (1.0) Calculated Property |
| Tfus | 460.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Imidazole-5(4)-sulfonanilide, 4(5)-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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