- InChI
- InChI=1S/C18H16N2O3/c1-19-15(21)18(13-9-5-3-6-10-13,14-11-7-4-8-12-14)16(22)20(2)17(19)23/h3-12H,1-2H3
- InChI Key
- FIRNIXWQYFVBKZ-UHFFFAOYSA-N
- Formula
- C18H16N2O3
- SMILES
-
CN1C(=O)N(C)C(=O)C(c2ccccc2)(c
2ccccc2)C1=O - Molecular Weight1
- 308.34
- 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 | 0.6166 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -243.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Rytting (2005) | |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 230.770 | ml/mol | McGowan Calculated Property |
| Pc | 1815.55 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 639.07 | K | Relay (1.0) Calculated Property |
| Tc | 990.69 | K | Relay (1.0) Calculated Property |
| Tfus | 459.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.818 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dimethyl-5,5-diphenyl-1,3-diazinane-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
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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