- InChI
- InChI=1S/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
- InChI Key
- MZQQHYDUINOMDG-UHFFFAOYSA-N
- Formula
- C4H6N2O2
- SMILES
- CN1C(=O)CNC1=O
- Molecular Weight1
- 114.10
- CAS
- 6843-45-4
- Other Names
-
- Hydantoin, 3-methyl-
- 3-Methylhydantoin
- 2,4-Imidazolidinedione, 4-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 | 0.4888 | Relay (... Calculated Property | |
| ΔfG° | -79.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -333.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.35 | kJ/mol | Relay (... Calculated Property |
| IE | [9.70; 9.87] | eV |
|
| IE | 9.70 | eV | NIST |
| IE | 9.87 ± 0.05 | eV | NIST |
| log10WS | -0.12 | Relay (... Calculated Property | |
| logPoct/wat | -0.832 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 5356.79 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 530.82 | K | Relay (... Calculated Property |
| Tc | 775.52 | K | Relay (... Calculated Property |
| Tfus | 421.92 | K | Relay (... Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Imidazolidinedione, 3-methyl-.
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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