- InChI
- InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3
- InChI Key
- JGUQDUKBUKFFRO-UHFFFAOYSA-N
- Formula
- C4H8N2O2
- SMILES
- CC(=NO)C(C)=NO
- Molecular Weight1
- 116.12
- CAS
- 95-45-4
- Other Names
-
- Diacetyldioxime
- Dimethylglyoxime
- 2,3-Diisonitrosobutane
- 2,3-Butadione dioxime
- Biacetyl, dioxime
- Glyoxime, dimethyl-
- Chugaev's reagent
- Named reagents and solutions, chugaev's
- Butane-2,3-dione dioxime
- 2,3-Butanedione, 2,3-dioxime
- NSC 9
- Reagents, Chugaev's
- butanedione dioxime
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.6849 | Relay (... Calculated Property | |
| ΔcH°solid | [-2555.60; -2543.00] | kJ/mol |
|
| ΔcH°solid | -2555.60 | kJ/mol | NIST |
| ΔcH°solid | -2543.00 | kJ/mol | NIST |
| ΔfG° | 159.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -70.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -0.23 | Relay (... Calculated Property | |
| logPoct/wat | 0.687 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 500.31 | K | Relay (... Calculated Property |
| Tc | 723.35 | K | Relay (... Calculated Property |
| Tfus | 370.99 | K | Relay (... Calculated Property |
| Vc | 0.333 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 96.80 | kJ/mol | 341.50 | NIST |
Similar Compounds
Find more compounds similar to 2,3-Butanedione, dioxime.
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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