- InChI
- InChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-7H
- InChI Key
- KZVUPVJLOACZIL-UHFFFAOYSA-N
- Formula
- C10H7F3N2
- SMILES
- FC(F)(F)c1cccc(-n2ccnc2)c1
- Molecular Weight1
- 212.17
- CAS
- 25371-97-5
- Other Names
-
- Imidazole, 1-(3-trifluoromethylphenyl)-
- 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 | 0.4405 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -413.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.891 | Crippen Calculated Property | |
| McVol | 133.810 | ml/mol | McGowan Calculated Property |
| Pc | 2914.28 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.70 | K | Relay (1.0) Calculated Property |
| Tc | 771.75 | K | Relay (1.0) Calculated Property |
| Tfus | 320.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Trifluoromethylphenyl)imidazole.
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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