- InChI
- InChI=1S/C7H4N4O3/c8-10-9-7(12)5-2-1-3-6(4-5)11(13)14/h1-4H
- InChI Key
- MBUKWVQKGHOBTG-UHFFFAOYSA-N
- Formula
- C7H4N4O3
- SMILES
-
[N-]=[N+]=NC(=O)c1cccc([N+](=O
)[O-])c1 - Molecular Weight1
- 192.13
- CAS
- 3532-31-8
- Other Names
-
- m-Nitrobenzazide
- Benzoyl azide, 3-nitro-
- 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 | 0.6266 | Relay (1.0) Calculated Property | |
| ΔfG° | 325.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 234.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 126.060 | ml/mol | McGowan Calculated Property |
| Pc | 3594.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 526.49 | K | Relay (1.0) Calculated Property |
| Tc | 789.72 | K | Relay (1.0) Calculated Property |
| Tfus | 327.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitrobenzoyl azide.
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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