Chemical Properties of Barbituric acid, 5-(2-bromoallyl)-5-propyl- (CAS 91062-54-3)

Barbituric acid, 5-(2-bromoallyl)-5-propyl-

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InChI
InChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h2-5H2,1H3,(H2,12,13,14,15,16)
InChI Key
ISWRUGBQYRDOGS-UHFFFAOYSA-N
Formula
C10H13BrN2O3
SMILES
C=C(Br)CC1(CCC)C(=O)NC(=O)NC1=O
Molecular Weight1
289.13
CAS
91062-54-3
Other Names
  • 5-(2-Bromoallyl)-5-propylbarbituric acid
  • 5-(n-Propyl)-5-(2-bromoallyl)barbituric acid
  • 5-(2-Bromo-2-propenyl)-5-propyl-hexahydropyrimidin-2,4,6-trione
  • Brallobarbital, dihydro-
  • Brallobarbital M (dihydro)
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Physical Properties

Property Value Unit Source
Δf -46.46 kJ/mol Joback Calculated Property
Δfgas -375.68 kJ/mol Joback Calculated Property
Δfus 27.60 kJ/mol Joback Calculated Property
Δvap 69.23 kJ/mol Joback Calculated Property
log10WS -3.12 Crippen Calculated Property
logPoct/wat 1.438 Crippen Calculated Property
McVol 178.770 ml/mol McGowan Calculated Property
Pc 3642.13 kPa Joback Calculated Property
Inp 1970.00 NIST
Tboil 811.27 K Joback Calculated Property
Tc 1082.84 K Joback Calculated Property
Tfus 692.54 K Joback Calculated Property
Vc 0.665 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [505.71; 590.68] J/mol×K [811.27; 1082.84] Show Hide
Cp,gas 505.71 J/mol×K 811.27 Joback Calculated Property
Cp,gas 521.93 J/mol×K 856.53 Joback Calculated Property
Cp,gas 537.28 J/mol×K 901.79 Joback Calculated Property
Cp,gas 551.80 J/mol×K 947.05 Joback Calculated Property
Cp,gas 565.51 J/mol×K 992.32 Joback Calculated Property
Cp,gas 578.46 J/mol×K 1037.58 Joback Calculated Property
Cp,gas 590.68 J/mol×K 1082.84 Joback Calculated Property

Similar Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-. 5-Allyl-5-butylbarbituric acid. Brallobarbital M (OH). Butalbital. Propallylonal. Barbituric acid, 5-allyl-5-neopentyl-. Brallobarbital. Talbutal. Secobarbital. Brallobarbital M (des-Br, OH). Barbituric acid, 5-(2-propenyl)-5-(2-hydroxypropyl). Barbituric acid, 5-propyl-5-(2-methylpropyl). Barbituric acid, 5,5-dipropyl-. Cyclopentobarbital. Butallylonal permethylated.

Find more compounds similar to Barbituric acid, 5-(2-bromoallyl)-5-propyl-.

Sources

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