- InChI
- InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
- InChI Key
- MJJCZWPYKMGQHU-UHFFFAOYSA-N
- Formula
- C4H4N2O3
- SMILES
- CN1C(=O)NC(=O)C1=O
- Molecular Weight1
- 128.09
- CAS
- 3659-97-0
- Other Names
-
- Methylparabanic acid
- Imidazolidinetrione,methyl-
- 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 | 0.5557 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -466.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.52 | eV | NIST |
| log10WS | -0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.305 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 5208.66 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 523.33 | K | Relay (1.0) Calculated Property |
| Tc | 793.23 | K | Relay (1.0) Calculated Property |
| Tfus | 483.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-2,4,5-trioxoimidazolidine.
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
- McGowan Method
- NIST Webbook
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