- InChI
- InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
- InChI Key
- MXFMPTXDHSDMTI-UHFFFAOYSA-N
- Formula
- C8H5F3N2
- SMILES
- FC(F)(F)c1nc2ccccc2[nH]1
- Molecular Weight1
- 186.13
- CAS
- 312-73-2
- Other Names
-
- Benzimidazole, 2-(trifluoromethyl)-
- 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 | 0.4194 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -467.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.100 | Crippen Calculated Property | |
| McVol | 109.930 | ml/mol | McGowan Calculated Property |
| Pc | 3547.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 514.02 | K | Relay (1.0) Calculated Property |
| Tc | 743.77 | K | Relay (1.0) Calculated Property |
| Tfus | 431.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzimidazole.
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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