Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)- (CAS 1142-70-7)

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

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InChI
InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChI Key
FWZMBTIUIQUJFF-UHFFFAOYSA-N
Formula
C11H15BrN2O3
SMILES
C=C(Br)CC1(C(C)CC)C(=O)NC(=O)NC1=O
Molecular Weight1
303.15
CAS
1142-70-7
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(1-methylpropyl)-
  • 5-(2'-Bromallyl)-5-(sec-butyl)barbituric acid
  • 5-(2'-Bromoallyl)-5-(1'-methyl-n-propyl)barbituric acid
  • 5-(2-Bromo-2-propenyl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(2-Bromo-2-propenyl)-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(2-Bromoallyl)-5-sec-butylbarbituric acid
  • 5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
  • 5-(2-bromoprop-2-enyl)-5-butan-2-yl-1,3-diazinane-2,4,6-trione
  • 5-sec-Butyl-5-(«beta»-bromoallyl)barbituric acid
  • 5-sec-Butyl-5-(«beta»-bromoallyl)barbituric acid
  • Barbituric acid, 5-(2-bromoallyl)-5-sec-butyl-
  • Butallylonal
  • Butylalylonal
  • Pernocton
  • Pernoston
  • Sonbutal
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Physical Properties

Property Value Unit Source
Δf -40.48 kJ/mol Joback Calculated Property
Δfgas -401.60 kJ/mol Joback Calculated Property
Δfus 26.66 kJ/mol Joback Calculated Property
Δvap 71.07 kJ/mol Joback Calculated Property
log10WS [-2.65; -2.65]   Show Hide
log10WS -2.65 Aq. Sol...
log10WS -2.65 Estimat...
logPoct/wat 1.684 Crippen Calculated Property
McVol 192.860 ml/mol McGowan Calculated Property
Pc 3284.05 kPa Joback Calculated Property
Inp [1944.00; 1995.00]   Show Hide
Inp 1969.00 NIST
Inp 1980.00 NIST
Inp 1944.00 NIST
Inp 1944.00 NIST
Inp 1975.00 NIST
Inp 1995.00 NIST
Inp 1969.00 NIST
Inp 1975.00 NIST
Inp 1944.00 NIST
Inp 1995.00 NIST
Tboil 833.71 K Joback Calculated Property
Tc 1104.10 K Joback Calculated Property
Tfus 404.65 K Aq. Sol...
Vc 0.716 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [561.98; 650.13] J/mol×K [833.71; 1104.10] Show Hide
Cp,gas 561.98 J/mol×K 833.71 Joback Calculated Property
Cp,gas 578.93 J/mol×K 878.78 Joback Calculated Property
Cp,gas 594.93 J/mol×K 923.84 Joback Calculated Property
Cp,gas 610.00 J/mol×K 968.91 Joback Calculated Property
Cp,gas 624.20 J/mol×K 1013.97 Joback Calculated Property
Cp,gas 637.57 J/mol×K 1059.04 Joback Calculated Property
Cp,gas 650.13 J/mol×K 1104.10 Joback Calculated Property

Similar Compounds

Propallylonal. Barbituric acid, 5-(2-bromoallyl)-5-propyl-. Talbutal. Secobarbital. Butallylonal permethylated. Brallobarbital M (OH). Narcobarbital. Cyclopentobarbital. Butabarbital. Thiamylal. Butallylonal perethylated. Pentobarbital. Butalbital. Butallylonal perbutylated. 5-Allyl-5-butylbarbituric acid.

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-.

Sources

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