- InChI
- InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3
- InChI Key
- YPINLRNGSGGJJT-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- CC(=NO)C(=O)c1ccccc1
- Molecular Weight1
- 163.17
- CAS
- 119-51-7
- Other Names
-
- 2-(Hydroxyimino)propiophenone
- 1-Phenyl-1,2-propanedione 2-oxime
- «alpha»-Isonitrosopropiophenone
- «alpha»-Oximinopropiophenone
- Propiophenone, isonitroso-
- Isonitrosopropiophenone
- 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 | 0.6407 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -82.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.719 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 553.98 | K | Relay (1.0) Calculated Property |
| Tc | 787.76 | K | Relay (1.0) Calculated Property |
| Tfus | 370.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanedione, 1-phenyl-, 2-oxime.
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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