- 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
-
- 2,3-Butanedione 3-monoxime
- 2,3-Butanedione monoxime
- 2,3-Butanedione oxime
- 2,3-Butanedione, 2-oxime
- 2,3-Butanedione-2-monoxime
- 2-Oximino-3-Butanone
- 3-Oximino-2-butanone
- 3-Oxo-2-butanone oxime
- Biacetyl monooxime
- Biacetyl monoxime
- DAM
- DAM (oxime)
- Diacetyl monooxime
- Diacetyl monoxime
- Isonitrosoethyl methyl ketone
- NSC 116103
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -221.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.425 | Crippen Calculated Property | |
| McVol | 80.340 | ml/mol | McGowan Calculated Property |
| Ip | [1782.00; 1796.00] |
|
|
| Ip | 1796.00 | NIST | |
| Ip | 1782.00 | NIST | |
| Ip | 1796.00 | NIST | |
| Tboil | 458.70 | K | NIST |
| Tfus | 349.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 2,3-Butanedione, monooxime.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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