Chemical Properties of Allobarbital (CAS 52-43-7)

Allobarbital

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InChI
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChI Key
FDQGNLOWMMVRQL-UHFFFAOYSA-N
Formula
C10H12N2O3
SMILES
C=CCC1(CC=C)C(=O)NC(=O)NC1=O
Molecular Weight1
208.21
CAS
52-43-7
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
  • 5,5-Di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-Diallylbarbituric acid
  • Allbarbital
  • Allobarbitone
  • Allybarbitural
  • Allylbarbitural
  • Alnox
  • Alobarbital
  • Barballyl
  • Barbidal
  • Barbituric acid, 5,5-diallyl-
  • Curral
  • Diadol
  • Dial
  • Dial (barbiturate)
  • Diallylbarbital
  • Diallymal
  • Dorm
  • Dormallyl
  • Malil
  • Malilum
  • NSC-9324
  • Novallyl
Sources

Physical Properties

Property Value Unit Source
Δf 35.61 kJ/mol Joback Calculated Property
Δfgas -266.79 kJ/mol Joback Calculated Property
Δfus 22.34 kJ/mol Joback Calculated Property
Δvap 62.05 kJ/mol Joback Calculated Property
logPoct/wat 0.49 Crippen Calculated Property
Pc 3505.43 kPa Joback Calculated Property
Tboil 741.91 K Joback Calculated Property
Tc 1005.43 K Joback Calculated Property
Tfus 445.00 ± 4.00 K NIST
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.87 J/mol×K 741.91 Joback Calculated Property
ΔfusH 32.31 kJ/mol 442.6 NIST

Molecular Descriptors

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

Similar Compounds

2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-. Barbituric acid, 5-allyl-5-isobutyl-. Barbital. Barbituric acid, 5-allyl-5-neopentyl-. 5-Allyl-5-butylbarbituric acid. Brallobarbital. Talbutal. Barbituric acid, 5-allyl-. Brallobarbital M (des-Br, OH). Barbituric acid, 5-ethyl-5-isopropyl-. Di-n-propylbarbituric acid. Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-. Barbituric acid, 5-(2-bromoallyl)-5-propyl-. Butethal.

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