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)-

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
  • Barbituric acid, 5-(2-bromoallyl)-5-sec-butyl-
  • Butallylonal
  • Butylalylonal
  • Pernocton
  • Pernoston
  • Sonbutal
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Physical Properties

Property Value Unit Source
ΔfusH° 26.67 kJ/mol Joback Calculated Property
log10WS [-2.65; -2.65]   Show Hide
log10WS -2.65 Aq. Solubility Prediction
log10WS -2.65 Estimated Solubility
logPoct/wat 1.684 Crippen Calculated Property
McVol 192.860 ml/mol McGowan 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 1944.00 NIST
Inp 1969.00 NIST
Inp 1975.00 NIST
Inp 1995.00 NIST
Tfus 404.65 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [254.13; 619.89] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.42520e+01
Coefficient B9.55140e-01
Coefficient C-4.34800e-04
Coefficient D7.53000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 254.13 J/mol×K 273.00 Calculated Property
Cp,gas 311.07 J/mol×K 353.78 Calculated Property
Cp,gas 363.39 J/mol×K 434.56 Calculated Property
Cp,gas 411.30 J/mol×K 515.33 Calculated Property
Cp,gas 455.07 J/mol×K 596.11 Calculated Property
Cp,gas 494.91 J/mol×K 676.89 Calculated Property
Cp,gas 531.08 J/mol×K 757.67 Calculated Property
Cp,gas 563.81 J/mol×K 838.44 Calculated Property
Cp,gas 593.33 J/mol×K 919.22 Calculated Property
Cp,gas 619.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

SIGMODAL. Propallylonal. Barbituric acid, 5-(2-bromoallyl)-5-propyl-. Talbutal. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-. Butallylonal permethylated. Brallobarbital M (OH). Narcobarbital. Cyclopentobarbital. Butabarbital. Thiamylal. Butallylonal perethylated. 5-ETHYL-5-(1-METHYLBUTYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE. Butalbital. Butallylonal perbutylated.

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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