- InChI
- InChI=1S/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3
- InChI Key
- WBRYLZHYOFBTPD-UHFFFAOYSA-N
- Formula
- C5H10N2O2
- SMILES
- CC(CC(C)=NO)=NO
- Molecular Weight1
- 130.15
- CAS
- 2157-56-4
- Other Names
-
- Acetylacetone dioxime
- 2,4-Pentanedione oxime
- 2,4-Pentanedioxime
- pentane-2,4-dione dioxime
- 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 | 0.7059 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -57.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.077 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 503.54 | K | Relay (1.0) Calculated Property |
| Tc | 714.90 | K | Relay (1.0) Calculated Property |
| Tfus | 343.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione 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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