- InChI
- InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
- InChI Key
- DDBREPKUVSBGFI-UHFFFAOYSA-N
- Formula
- C12H12N2O3
- SMILES
- CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 232.24
- CAS
- 50-06-6
- Other Names
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-
- 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Ethyl-5-phenylbarbituric acid
- 5-Phenyl-5-ethylbarbituric acid
- 5-ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrmidinetrione
- Adonal
- Aephenal
- Agrypnal
- Amylofene
- Aphenylbarbit
- Aphenyletten
- Barbenyl
- Barbilehae (barbilettae)
- Barbinal
- Barbiphen
- Barbiphenyl
- Barbipil
- Barbita
- Barbituric acid, 5-ethyl-5-phenyl-
- Barbivis
- Barbonal
- Barbophen
- Bardorm
- Bartol
- Bialminal
- Blu-phen
- Cabronal
- Calmetten
- Calminal
- Cardenal
- Chinoin
- Codibarbita
- Coronaletta
- Cratecil
- Damoral
- Dezibarbitur
- Dormina
- Dormiral
- Dormital
- Doscalun
- Duneryl
- Ensobarb
- Ensodorm
- Epanal
- Epidorm
- Epilol
- Episedal
- Epsylone
- Eskabarb
- Etilfen
- Euneryl
- Fenbital
- Fenemal
- Fenemal recip
- Fenobarbital
- Fenosed
- Fenylettae
- Gardenal
- Gardepanyl
- Glysoletten
- Haplopan
- Haplos
- Helional
- Hennoletten
- Henotal
- Hypnaletten
- Hypnette
- Hypno-Tablinetten
- Hypnogen
- Hypnolone
- Hypnoltol
- Hysteps
- Lefebar
- Leonal
- Lephebar
- Lepinal
- Lepinaletten
- Linasen
- Liquital
- Lixophen
- Lubergal
- Lubrokal
- Lumen
- Lumesettes
- Lumesyn
- Luminal
- Lumofridetten
- Luphenil
- Luramin
- Mephobarbital M (nor)
- Methylphenobarbital, M(nor-)
- Molinal
- Neurobarb
- Nirvonal
- Noptil
- Nova-Pheno
- Nunol
- Parkotal
- Pharmetten
- Phen-Bar
- Phenaemal
- Phenemal
- Phenemalum
- Phenobal
- Phenobar
- Phenobarbitol
- Phenobarbitone
- Phenobarbituric acid
- Phenobarbyl
- Phenoluric
- Phenolurio
- Phenomet
- Phenonyl
- Phenoturic
- Phenylethylbarbiturate
- Phenylethylbarbituric acid
- Phenylethylmalonylurea
- Phenyletten
- Phenyral
- Phob
- Polcominal
- Primidone, M (phenobarbital)
- Promptonal
- SK-Phenobarbital
- Seda-Tablinen
- Sedabar
- Sedicat
- Sedizorin
- Sedlyn
- Sedofen
- Sedonal
- Sedonal (sedative)
- Sedonettes
- Sedophen
- Sevenal
- Sinoratox
- Solfoton
- Solfoton talpheno
- Solu-Barb
- Sombutol
- Somnolens
- Somnoletten
- Somnosan
- Somonal
- Spasepilin
- Starifen
- Starilettae
- Stental
- Stental Extentabs
- Talpheno
- Teolaxin
- Teoloxin
- Thenobarbital
- Theoloxin
- Triabarb
- Tridezibarbitur
- Triphenatol
- Versomnal
- Zadoletten
- Zadonal
- component of Antrocol
- component of Barbidonna
- component of Bronkotabs
- component of Chardonna-2
- component of Donnatal
- component of Donnazyme
- component of Hecadrol
- component of Hydantal
- component of Kinesed
- component of Levsin pb drops and tablets
- component of Primatene P
- component of Quadrinal
- component of Slowten
- component of Tedral
- component of Valpin 50-PB
- pyrimidinetrione, 5-ethyl-5-phenyl-2,4,6-(1H,3H,5H)-
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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° | -10.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.12 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.35; -2.32] |
|
|
| log10WS | -2.35 | Aq. Sol... | |
| log10WS | -2.32 | Estimat... | |
| logPoct/wat | 0.700 | Crippen Calculated Property | |
| McVol | 169.990 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [1921.50; 1996.00] |
|
|
| Inp | 1984.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Inp | 1931.00 | NIST | |
| Inp | 1937.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1939.00 | NIST | |
| Inp | 1938.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Inp | 1944.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1921.50 | NIST | |
| Inp | 1995.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Inp | 1924.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1924.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1954.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1939.00 | NIST | |
| Inp | 1984.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Inp | 1944.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Inp | 1924.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Inp | 1954.00 | NIST | |
| Tboil | 820.99 | K | Joback Calculated Property |
| Tc | 1110.83 | K | Joback Calculated Property |
| Tfus | [447.98; 449.00] | K |
|
| Tfus | 447.98 | K | Aq. Sol... |
| Tfus | 449.00 ± 4.00 | K | NIST |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.92; 600.92] | J/mol×K | [820.99; 1110.83] |
|
| Cp,gas | 512.92 | J/mol×K | 820.99 | Joback Calculated Property |
| Cp,gas | 530.54 | J/mol×K | 869.30 | Joback Calculated Property |
| Cp,gas | 546.92 | J/mol×K | 917.60 | Joback Calculated Property |
| Cp,gas | 562.11 | J/mol×K | 965.91 | Joback Calculated Property |
| Cp,gas | 576.14 | J/mol×K | 1014.22 | Joback Calculated Property |
| Cp,gas | 589.07 | J/mol×K | 1062.52 | Joback Calculated Property |
| Cp,gas | 600.92 | J/mol×K | 1110.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenobarbital.
Mixtures
- Phenobarbital + Water
- Propylene Glycol + Phenobarbital
- Propylene Glycol + Phenobarbital + Water
- 2-Pyrrolidinone, 1-methyl- + Phenobarbital
- 2-Pyrrolidinone, 1-methyl- + Phenobarbital + Water
Sources
- Crippen Method
- Solubility of Lamotrigine, Diazepam, Clonazepam, and Phenobarbital in Propylene Glycol + Water Mixtures at 298.15 K
- Solubility of Clonazepam, Diazepam, Lamotrigine, and Phenobarbital in N-Methyl-2-pyrrolidone + Water Mixtures at 298.2 K
- 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.