- InChI
- InChI=1S/C9H8N2O4/c12-8(5-10-15)11-7-4-2-1-3-6(7)9(13)14/h1-5,15H,(H,11,12)(H,13,14)
- InChI Key
- HKECZOKZNVYPQT-UHFFFAOYSA-N
- Formula
- C9H8N2O4
- SMILES
- O=C(C=NO)Nc1ccccc1C(=O)O
- Molecular Weight1
- 208.17
- CAS
- 6579-46-0
- 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 | 0.9570 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -440.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.783 | Crippen Calculated Property | |
| McVol | 144.450 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 598.31 | K | Relay (1.0) Calculated Property |
| Tc | 949.23 | K | Relay (1.0) Calculated Property |
| Tfus | 488.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Anthranilic acid, n-[(chloroethyl)carbamoyl]-.](data:image/png;base64,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)
Find more compounds similar to Benzoic acid, 2-hydroximinoacetylamino-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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