- InChI
- InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3
- InChI Key
- FSEUPUDHEBLWJY-UHFFFAOYSA-N
- Formula
- C4H7NO2
- SMILES
- CC(=O)C(C)=NO
- Molecular Weight1
- 101.10
- CAS
- 57-71-6
- Other Names
-
- Biacetyl monooxime
- Biacetyl monoxime
- Diacetyl monooxime
- Diacetyl monoxime
- DAM
- 2-Oximino-3-Butanone
- 2,3-Butanedione monoxime
- 2,3-Butanedione, 2-oxime
- 2,3-Butanedione 3-monoxime
- 2,3-Butanedione-2-monoxime
- 3-Oximino-2-butanone
- 2,3-Butanedione oxime
- 3-Oxo-2-butanone oxime
- DAM (oxime)
- Isonitrosoethyl methyl ketone
- NSC 116103
- 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).
- I : Polar retention indices.
- 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 | 0.5695 | Relay (... Calculated Property | |
| ΔfG° | -41.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -221.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 53.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.65 | eV | Relay (... Calculated Property |
| log10WS | 0.68 | Relay (... Calculated Property | |
| logPoct/wat | 0.425 | Crippen Calculated Property | |
| McVol | 80.340 | ml/mol | McGowan Calculated Property |
| Pc | 4178.49 | kPa | Joback Calculated Property |
| I | [1782.00; 1796.00] |
|
|
| I | 1796.00 | NIST | |
| I | 1782.00 | NIST | |
| I | 1796.00 | NIST | |
| Tboil | 458.70 | K | NIST |
| Tc | 682.81 | K | Relay (... Calculated Property |
| Tfus | 327.71 | K | Relay (... Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Butanedione, monooxime.
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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