- InChI
- InChI=1S/C8H3Cl2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
- InChI Key
- CAFBQHRMRGNHME-UHFFFAOYSA-N
- Formula
- C8H3Cl2F3N2
- SMILES
-
FC(F)(F)c1nc2c(Cl)cc(Cl)cc2[nH
]1 - Molecular Weight1
- 255.02
- CAS
- 4228-88-0
- Other Names
-
- 4,6-Dichloro-2-(trifluoromethyl)benzimidazole
- 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 | 0.4922 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -511.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.407 | Crippen Calculated Property | |
| McVol | 134.410 | ml/mol | McGowan Calculated Property |
| Pc | 3186.05 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 544.57 | K | Relay (1.0) Calculated Property |
| Tc | 811.13 | K | Relay (1.0) Calculated Property |
| Tfus | 462.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 4,6-dichloro-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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