- InChI
- InChI=1S/C11H6N4O4/c16-15(17)9-2-1-8(18-9)11-13-10(14-19-11)7-3-5-12-6-4-7/h1-6H
- InChI Key
- VABZRAFKJLBBMK-UHFFFAOYSA-N
- Formula
- C11H6N4O4
- SMILES
-
O=[N+]([O-])c1ccc(-c2nc(-c3ccn
cc3)no2)o1 - Molecular Weight1
- 258.19
- 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 | 0.7170 | Relay (1.0) Calculated Property | |
| ΔfG° | 340.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 220.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.300 | Crippen Calculated Property | |
| McVol | 162.270 | ml/mol | McGowan Calculated Property |
| Pc | 4337.37 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 644.13 | K | Relay (1.0) Calculated Property |
| Tc | 981.82 | K | Relay (1.0) Calculated Property |
| Tfus | 461.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxadiazole, 1,2,4-, 5-(5-nitrofuran-2-yl)-3-(4-pyridinyl)-.
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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