- InChI
- InChI=1S/C26H20N6O/c27-19-7-3-1-5-17(19)25-29-21-11-9-15(13-23(21)31-25)33-16-10-12-22-24(14-16)32-26(30-22)18-6-2-4-8-20(18)28/h1-14H,27-28H2,(H,29,31)(H,30,32)
- InChI Key
- FZSYQUANOMQFJO-UHFFFAOYSA-N
- Formula
- C26H20N6O
- SMILES
-
Nc1ccccc1-c1nc2ccc(Oc3ccc4nc(-
c5ccccc5N)[nH]c4c3)cc2[nH]1 - Molecular Weight1
- 432.48
- CAS
- 25829-64-5
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 1.0720 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -13191.00 ± 6.00 | kJ/mol | NIST |
| ΔfG° | 600.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 393.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 102.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | 202.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.766 | Crippen Calculated Property | |
| McVol | 317.590 | ml/mol | McGowan Calculated Property |
| Pc | 3293.95 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 869.73 | K | Relay (1.0) Calculated Property |
| Tc | 1405.91 | K | Relay (1.0) Calculated Property |
| Tfus | 661.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bis-(o-aminophenyl)-2,2'-dibezimidazole oxide.
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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