- InChI
- InChI=1S/C8H3F3N4O4/c9-8(10,11)7-12-4-1-3(14(16)17)2-5(15(18)19)6(4)13-7/h1-2H,(H,12,13)
- InChI Key
- ABJSFSLMGRVNBG-UHFFFAOYSA-N
- Formula
- C8H3F3N4O4
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c2nc(C(F)(F)F)[nH]c2c1 - Molecular Weight1
- 276.13
- CAS
- 6609-38-7
- 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 | 0.7239 | Relay (... Calculated Property | |
| ΔfG° | -212.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -435.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -4.17 | Relay (... Calculated Property | |
| logPoct/wat | 1.916 | Crippen Calculated Property | |
| McVol | 144.770 | ml/mol | McGowan Calculated Property |
| Pc | 2866.62 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 576.53 | K | Relay (... Calculated Property |
| Tc | 911.29 | K | Relay (... Calculated Property |
| Tfus | 471.46 | K | Relay (... Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 4,6-dinitro-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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