- InChI
- InChI=1S/C7H6N2O2/c1-5-2-3-7-6(4-5)8-11-9(7)10/h2-4H,1H3
- InChI Key
- HCWVKDOCXDWFEH-UHFFFAOYSA-N
- Formula
- C7H6N2O2
- SMILES
- Cc1ccc2c(c1)no[n+]2[O-]
- Molecular Weight1
- 150.13
- CAS
- 19164-41-1
- Other Names
-
- 5-Methylbenzofurazan oxide
- 5-Methylbenzofurazan N-oxide
- 5-Methylbenzofurazan 1-oxide
- 5-Methylbenzofuroxan
- 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 | 0.4841 | Relay (... Calculated Property | |
| ΔcH°solid | -3787.30 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 282.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 267.40 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | 175.20 ± 1.80 | kJ/mol | NIST |
| ΔsubH° | [92.20; 92.20] | kJ/mol |
|
| ΔsubH° | 92.20 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | 92.20 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 70.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -1.98 | Relay (... Calculated Property | |
| logPoct/wat | 0.770 | Crippen Calculated Property | |
| McVol | 102.270 | ml/mol | McGowan Calculated Property |
| Pc | 4890.79 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 521.43 | K | Relay (... Calculated Property |
| Tc | 789.79 | K | Relay (... Calculated Property |
| Tfus | 350.20 | K | Relay (... Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzofurazan, 5-methyl-, 1-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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