- InChI
- InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H
- InChI Key
- OKEAMBAZBICIFP-UHFFFAOYSA-N
- Formula
- C6H4N2O2
- SMILES
- [O-][n+]1onc2ccccc21
- Molecular Weight1
- 136.11
- CAS
- 480-96-6
- Other Names
-
- Benzofurazan, 1-oxide
- Benzofuroxane
- Benzofurazan oxide
- Benzofurazan N-oxide
- Benzo[1,2,5]oxadiazole 3-oxide
- 2,1,3-Benzoxadiazole 1-oxide
- NSC 19930
- 1-benzo-2-oxa-1,3-diazole oxide
- 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).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4487 | Relay (... Calculated Property | |
| ΔcH°solid | -3151.60 ± 1.20 | kJ/mol | NIST |
| ΔfG° | 295.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 298.50 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | 218.90 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | [79.60; 79.60] | kJ/mol |
|
| ΔsubH° | 79.60 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | 79.60 ± 1.70 | kJ/mol | NIST |
| ΔvapH° | 67.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.09 | eV | Relay (... Calculated Property |
| log10WS | -1.44 | Relay (... Calculated Property | |
| logPoct/wat | 0.461 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Pc | 5524.33 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 503.40 | K | Relay (... Calculated Property |
| Tc | 792.55 | K | Relay (... Calculated Property |
| Tfus | 340.88 | K | Relay (... Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuroxan.
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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