- InChI
- InChI=1S/C5H8N4O3/c1-6-4(10)8-2-3-9(7-12)5(8)11/h2-3H2,1H3,(H,6,10)
- InChI Key
- TUDNLYBYRMSGTF-UHFFFAOYSA-N
- Formula
- C5H8N4O3
- SMILES
- CNC(=O)N1CCN(N=O)C1=O
- Molecular Weight1
- 172.14
- CAS
- 16872-50-7
- 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 | 0.7007 | Relay (... Calculated Property | |
| ΔfG° | 65.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -217.49 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -0.98 | Relay (... Calculated Property | |
| logPoct/wat | -0.255 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 4285.88 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 551.47 | K | Relay (... Calculated Property |
| Tc | 837.42 | K | Relay (... Calculated Property |
| Tfus | 399.08 | K | Relay (... Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitroso-2-imidazolidone-1-(n-methylcarboxamide).
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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