- InChI
- InChI=1S/C8H2Cl3F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)
- InChI Key
- BXCSXZJKEJQDKS-UHFFFAOYSA-N
- Formula
- C8H2Cl3F3N2
- SMILES
-
FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)cc
2[nH]1 - Molecular Weight1
- 289.47
- CAS
- 2338-27-4
- 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 | 0.5301 | Relay (... Calculated Property | |
| ΔfG° | -414.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -520.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -4.92 | Relay (... Calculated Property | |
| logPoct/wat | 4.060 | Crippen Calculated Property | |
| McVol | 146.650 | ml/mol | McGowan Calculated Property |
| Pc | 2915.30 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 576.83 | K | Relay (... Calculated Property |
| Tc | 853.90 | K | Relay (... Calculated Property |
| Tfus | 495.32 | K | Relay (... Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 4,5,6-trichloro-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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