Chemical Properties of Butabarbital (CAS 125-40-6)

Butabarbital

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InChI
InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChI Key
ZRIHAIZYIMGOAB-UHFFFAOYSA-N
Formula
C10H16N2O3
SMILES
CCC(C)C1(CC)C(=O)NC(=O)NC1=O
Molecular Weight1
212.25
CAS
125-40-6
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-
  • 5-Ethyl-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-(1-methylpropyl)barbituric acid
  • 5-Sec-butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-sec-Butyl-5-Ethylbarbituric acid
  • 5-sec-Butyl-5-ethylmalonyl urea
  • Barbituric acid, 5-sec-butyl-5-ethyl-
  • Butabarb
  • Butabarbitone
  • Butatab
  • Butatal
  • Buticaps
  • Butisol
  • Butrate
  • Medarsed
  • NSC 27517
  • Nilox
  • Secbubarbital
  • Secbutabarbital
  • Secbutobarbital
  • Secbutobarbitone
  • Unicelles
  • component of Pyridium plus
Sources

Physical Properties

Property Value Unit Source
Δf -142.51 kJ/mol Joback Calculated Property
Δfgas -522.93 kJ/mol Joback Calculated Property
Δfus 21.38 kJ/mol Joback Calculated Property
Δvap 63.00 kJ/mol Joback Calculated Property
logPoct/wat 0.79 Crippen Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Tboil 748.11 K Joback Calculated Property
Tc 1006.09 K Joback Calculated Property
Tfus 633.46 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 495.00 J/mol×K 748.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
>C=O (ring) 3
>NH (ring) 2
-CH2- 2
>C< (ring) 1
-CH3 3

Similar Compounds

Barbituric acid, 5-ethyl-5-isopropyl-. Di-n-propylbarbituric acid. Talbutal. Butethal. Barbituric acid, 5-ethyl-5-n-hexyl-. Barbituric acid, 5-ethyl-5-isoamyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-. Butabarbital Me. 5-Acetonyl-5-propyl-hexahydropyrimidin-2,4,6-trione. Barbital. Barbituric acid, 5-allyl-5-isobutyl-. Barbituric acid, 5-allyl-5-neopentyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-. 5-Allyl-5-butylbarbituric acid. 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylpropyl)-2-thioxo-.

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