- InChI
- InChI=1S/C8H2Cl2F3N3O2/c9-2-1-3-5(4(10)6(2)16(17)18)15-7(14-3)8(11,12)13/h1H,(H,14,15)
- InChI Key
- ABRYUUSJZZOGOI-UHFFFAOYSA-N
- Formula
- C8H2Cl2F3N3O2
- SMILES
-
O=[N+]([O-])c1c(Cl)cc2[nH]c(C(
F)(F)F)nc2c1Cl - Molecular Weight1
- 300.02
- CAS
- 6609-43-4
- 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 | 0.6450 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -468.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 151.830 | ml/mol | McGowan Calculated Property |
| Pc | 2888.99 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.65 | K | Relay (1.0) Calculated Property |
| Tc | 905.21 | K | Relay (1.0) Calculated Property |
| Tfus | 463.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 4,6-dichloro-5-nitro-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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