- InChI
- InChI=1S/C11H12N4O5/c16-15(17)10-2-1-8(19-10)11-12-9(13-20-11)7-14-3-5-18-6-4-14/h1-2H,3-7H2
- InChI Key
- FOPOXQKKPMUWFM-UHFFFAOYSA-N
- Formula
- C11H12N4O5
- SMILES
-
O=[N+]([O-])c1ccc(-c2nc(CN3CCO
CC3)no2)o1 - Molecular Weight1
- 280.24
- CAS
- 36133-75-2
- 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 | 0.7694 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -16.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.070 | Crippen Calculated Property | |
| McVol | 181.040 | ml/mol | McGowan Calculated Property |
| Pc | 2781.14 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 645.87 | K | Relay (1.0) Calculated Property |
| Tc | 926.41 | K | Relay (1.0) Calculated Property |
| Tfus | 392.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxadiazole, 1,2,4-, 3-(morpholinomethyl)-5-(5-nitrofuran-2-yl)-.
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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