- InChI
- InChI=1S/C18H16N2O4/c1-13(21)24-12-20-16(22)18(19-17(20)23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,23)
- InChI Key
- FBFCVJNZKBVVRP-UHFFFAOYSA-N
- Formula
- C18H16N2O4
- SMILES
-
CC(=O)OCN1C(=O)NC(c2ccccc2)(c2
ccccc2)C1=O - Molecular Weight1
- 324.34
- Other Names
-
- [2,5-dioxo-4,4-di(phenyl)imidazolidin-1-yl]methyl acetate
- 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 | 0.6854 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -397.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.64; -4.47] |
|
|
| log10WS | -4.64 | Aq. Solubility Prediction | |
| log10WS | -4.47 | Estimated Solubility | |
| logPoct/wat | 2.003 | Crippen Calculated Property | |
| McVol | 236.640 | ml/mol | McGowan Calculated Property |
| Pc | 1855.54 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 658.74 | K | Relay (1.0) Calculated Property |
| Tc | 994.07 | K | Relay (1.0) Calculated Property |
| Tfus | 431.25 | K | Aq. Solubility Prediction |
| Vc | 0.838 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethanoyloxymethylphenytoin.
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 Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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