Chemical Properties of Phenobarbital (CAS 50-06-6)

Phenobarbital

PDF Excel Molecule Calculator
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)-
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
Δf -10.82 kJ/mol Joback Calculated Property
Δfgas -322.40 kJ/mol Joback Calculated Property
Δfus 24.12 kJ/mol Joback Calculated Property
Δvap 70.12 kJ/mol Joback Calculated Property
log10WS [-2.35; -2.32]   Show Hide
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]   Show Hide
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 Show Hide
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] Show Hide
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

5-Ethyl-5-p-tolylbarbituric acid. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-hydroxyphenyl)-. Primidone. 5-Ethyl-5-(4-acetoxyphenyl)-hexahydropyrimidin-2,4,6-trione. Barbituric acid, 5-allyl-5-phenyl-. Mephobarbital. Methylphenobarbital, M(HO-), AC. 1-N-butyl-phenobarbital. Mephobarbital M (OH). 2,4-Azetidinedione, 3-ethyl-3-phenyl-. Phenylmethylbarbituric acid. Dimethylphenobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-triethyl-5-phenyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-3-methyl-5-phenyl-. Ethyltolylbarbital permethylated.

Find more compounds similar to Phenobarbital.

Mixtures

Sources

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.