- InChI
- InChI=1S/C8H4BrF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
- InChI Key
- MWSWJWXZVTVPEQ-UHFFFAOYSA-N
- Formula
- C8H4BrF3N2
- SMILES
- FC(F)(F)c1nc2c(Br)cccc2[nH]1
- Molecular Weight1
- 265.03
- CAS
- 6587-23-1
- 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 | 0.4598 | Relay (... Calculated Property | |
| ΔfG° | -343.32 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -434.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 2.862 | Crippen Calculated Property | |
| McVol | 127.430 | ml/mol | McGowan Calculated Property |
| Pc | 3396.89 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 552.03 | K | Relay (... Calculated Property |
| Tc | 792.07 | K | Relay (... Calculated Property |
| Tfus | 439.74 | K | Relay (... Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 4-bromo-2-(trifluoromethyl)-.
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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