- InChI
- InChI=1S/C12H14N2O4/c1-13-10(16)9(11(17)14(2)12(13)18)7-4-3-5-8(15)6-7/h6,9H,3-5H2,1-2H3
- InChI Key
- UYQADBUJDKKCDO-UHFFFAOYSA-N
- Formula
- C12H14N2O4
- SMILES
-
CN1C(=O)C(C2=CC(=O)CCC2)C(=O)N
(C)C1=O - Molecular Weight1
- 250.25
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5952 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -618.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.332 | Crippen Calculated Property | |
| McVol | 180.160 | ml/mol | McGowan Calculated Property |
| Pc | 2465.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2060.00; 2060.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Tboil | 603.35 | K | Relay (1.0) Calculated Property |
| Tc | 896.65 | K | Relay (1.0) Calculated Property |
| Tfus | 421.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dimethyl-5-(3-oxocyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione.
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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