Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)- (CAS 77-02-1)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-

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InChI
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChI Key
UORJNBVJVRLXMQ-UHFFFAOYSA-N
Formula
C10H14N2O3
SMILES
C=CCC1(C(C)C)C(=O)NC(=O)NC1=O
Molecular Weight1
210.23
CAS
77-02-1
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
  • 5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-isopropylbarbiturate
  • 5-Allyl-5-isopropylbarbituric acid
  • 5-Isopropyl-5-allylbarbituric acid
  • Allional
  • Allonal
  • Allylisopropylbarbituric acid
  • Allylisopropylmalonylurea
  • Allylpropymal
  • Allypropymal
  • Alurate
  • Alurate Elixir Verdum
  • Aprobarbita
  • Aprobarbitone
  • Aprozal
  • Barbituric acid, 5-allyl-5-isopropyl-
  • Isonal
  • Isopropylallylbarbituric acid
  • NSC 120769
  • Numal
  • Propallylonal M (des-Br)
Sources

Physical Properties

Property Value Unit Source
Δf -54.67 kJ/mol Joback Calculated Property
Δfgas -397.50 kJ/mol Joback Calculated Property
Δfus 20.10 kJ/mol Joback Calculated Property
Δvap 62.33 kJ/mol Joback Calculated Property
logPoct/wat 0.57 Crippen Calculated Property
Pc 3368.44 kPa Joback Calculated Property
Tboil 744.79 K Joback Calculated Property
Tc 1008.19 K Joback Calculated Property
Tfus 631.70 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 470.14 J/mol×K 744.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. Talbutal. Allobarbital. Barbituric acid, 5-ethyl-5-isopropyl-. Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methylethyl)-5-(2-propenyl)-. Barbituric acid, 5-allyl-5-isobutyl-. Butabarbital. Barbituric acid, 5-allyl-5-neopentyl-. 5-Allyl-5-butylbarbituric acid. Barbital. Brallobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-. Cyclopentobarbital. Brallobarbital M (des-Br, OH).

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