- 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
-
- 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
- 2,4-Imidazolidinedione, 5,5-diphenyl-
- 5,5-Diphenyl-1H-imidazolidine-2,4-dione
- 5,5-Diphenyl-2,4-Imidazolidinedione
- 5,5-Diphenyl-2,4-imidazolidinedione (phenytoin)
- 5,5-Diphenylhydantoin
- 5,5-Diphenylimidazolidin-2,4-dione
- 5,5-Dwufenylohydantoina
- 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
- Oxacarbazepine
- Oxcarbazepine
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 261.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.65 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.10; -3.93] |
|
|
| log10WS | -3.93 | Aq. Sol... | |
| log10WS | -4.10 | Estimat... | |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 186.930 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback 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 | 2292.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 844.22 | K | Joback Calculated Property |
| Tc | 1147.60 | K | Joback Calculated Property |
| Tfus | 567.07 | K | Aq. Sol... |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.05; 651.96] | J/mol×K | [844.22; 1147.60] |
|
| Cp,gas | 555.05 | J/mol×K | 844.22 | Joback Calculated Property |
| Cp,gas | 573.04 | J/mol×K | 894.78 | Joback Calculated Property |
| Cp,gas | 590.01 | J/mol×K | 945.35 | Joback Calculated Property |
| Cp,gas | 606.19 | J/mol×K | 995.91 | Joback Calculated Property |
| Cp,gas | 621.77 | J/mol×K | 1046.47 | Joback Calculated Property |
| Cp,gas | 636.96 | J/mol×K | 1097.04 | Joback Calculated Property |
| Cp,gas | 651.96 | J/mol×K | 1147.60 | 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 | Evaluat... |
Similar Compounds
Find more compounds similar to Phenytoin.
Mixtures
Sources
- Crippen Method
- Experimental investigation and modeling of the solubility of oxcarbazepine (an anticonvulsant agent) in supercritical carbon dioxide
- 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.