- InChI
- InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
- InChI Key
- CXOFVDLJLONNDW-UHFFFAOYSA-N
- Formula
- C15H12N2O2
- SMILES
-
O=C1NC(=O)C(c2ccccc2)(c2ccccc2
)N1 - Molecular Weight1
- 252.27
- CAS
- 57-41-0
- Other Names
-
- 2,4-Imidazolidinedione, 5,5-diphenyl-
- 5,5-Diphenyl-1H-imidazolidine-2,4-dione
- 5,5-Diphenyl-2,4-imidazolidinedione (phenytoin)
- 5,5-Diphenylimidazolidin-2,4-dione
- 5,5-Dwufenylohydantoina
- 5,5-diphenyl-2,4-imidazolidinedione
- 5,5-diphenylhydantoin
- 5,5-diphenylimidazolidine-2,4-dione
- Aleviatin
- Auranile
- Causoin
- Citrulliamon
- Comitoina
- Convul
- DPH
- Danten
- Dantinal
- Dantoinal
- Dantoinal klinos
- Dantoine
- Denyl
- Di-Hydan
- Di-Lan
- Di-Phetine
- Didan TDC 250
- Difenilhidantoina
- Difenin
- Difetoin
- Difhydan
- Dihycon
- Dihydantoin
- Dilabid
- Dilantin
- Dilantin acid
- Dilantine
- Dillantin
- Dintoin
- Dintoina
- Diphantoin
- Diphedal
- Diphedan
- Diphenat
- Diphenin
- Diphenine
- Diphentoin
- Diphentyn
- Diphenylan
- Diphenylhydantoin
- Diphenylhydantoine
- Diphenylhydatanoin
- Ditoinate
- Ekko
- Ekko capsules
- Elepsindon
- Enkelfel
- Epamin
- Epanutin
- Epasmir "5"
- Epdantoine simple
- Epelin
- Epifenyl
- Epihydan
- Epilan-D
- Epilantin
- Epinat
- Epised
- Eptal
- Eptoin
- Fenidantoin "s"
- Fenitoina
- Fentoin
- Fenylepsin
- Fenytoine
- Gerot-epilan-D
- Hidan
- Hidantal
- Hidantilo
- Hidantina
- Hidantina senosian
- Hidantina vitoria
- Hidantomin
- Hindatal
- Hydantal
- Hydantin
- Hydantoin, 5,5-diphenyl-
- Hydantoinal
- Ictalis simple
- Idantoil
- Idantoin
- Kessodanten
- Labopal
- Lehydan
- Lepitoin
- Lepsin
- Minetoin
- NCI-C55765
- Neos-Hidantoina
- Neosidantoina
- Novantoina
- Om hidantoina simple
- Om-Hydantoine
- Oxylan
- Phanantin
- Phanatine
- Phenatine
- Phenatoine
- Phenitoin
- Phentoin
- Phenytoine
- Ritmenal
- Saceril
- Sanepil
- Silantin
- Sodantoin
- Sodanton
- Solantin
- Solantoin
- Solantyl
- Sylantoic
- TOIN
- Thilophenyl
- Toin unicelles
- Zentronal
- Zentropil
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.10; -3.93] |
|
|
| log10WS | -3.93 | Aq. Solubility Prediction | |
| log10WS | -4.10 | Estimated Solubility | |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 186.930 | ml/mol | McGowan Calculated Property |
| Inp | [2292.00; 2385.00] |
|
|
| Inp | 2369.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Inp | 2365.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Inp | 2292.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Inp | 2292.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tfus | 567.07 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.13; 652.04] | J/mol×K | [844.42; 1147.87] |
|
| Cp,gas | 555.13 | J/mol×K | 844.42 | Joback Calculated Property |
| Cp,gas | 573.11 | J/mol×K | 895.00 | Joback Calculated Property |
| Cp,gas | 590.09 | J/mol×K | 945.57 | Joback Calculated Property |
| Cp,gas | 606.26 | J/mol×K | 996.15 | Joback Calculated Property |
| Cp,gas | 621.85 | J/mol×K | 1046.72 | Joback Calculated Property |
| Cp,gas | 637.04 | J/mol×K | 1097.30 | Joback Calculated Property |
| Cp,gas | 652.04 | J/mol×K | 1147.87 | Joback Calculated Property |
| ΔfusH | [36.29; 47.08] | kJ/mol | [568.80; 574.00] |
|
| ΔfusH | 40.10 | kJ/mol | 568.80 | NIST |
| ΔfusH | 47.08 | kJ/mol | 570.80 | NIST |
| ΔfusH | 36.29 | kJ/mol | 574.00 | NIST |
| ΔfusH | 36.29 | kJ/mol | 574.00 | NIST |
| ΔvapH | 140.00 | kJ/mol | 520.00 | Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins |
Similar Compounds
Find more compounds similar to Phenytoin.
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
- Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.