Chemical Properties of Talbutal (CAS 115-44-6)

Talbutal

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InChI
InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChI Key
BJVVMKUXKQHWJK-UHFFFAOYSA-N
Formula
C11H16N2O3
SMILES
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
Molecular Weight1
224.26
CAS
115-44-6
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-
  • 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-(1-methylpropyl) barbituric acid
  • 5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-sec-butylbarbituric acid
  • Barbituric acid, 5-allyl-5-sec-butyl-
  • Butalbital
  • Latusate
  • Lotusate
  • Profundol
  • WIN 5095
  • sec-Butyl allyl barbituric acid
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Physical Properties

Property Value Unit Source
Δf -46.25 kJ/mol Joback Calculated Property
Δfgas -418.14 kJ/mol Joback Calculated Property
Δfus 22.69 kJ/mol Joback Calculated Property
Δvap 64.56 kJ/mol Joback Calculated Property
log10WS [-2.02; -2.02]   Show Hide
log10WS -2.02 Aq. Sol...
log10WS -2.02 Estimat...
logPoct/wat 0.961 Crippen Calculated Property
McVol 175.360 ml/mol McGowan Calculated Property
Pc 3022.28 kPa Joback Calculated Property
Inp [1677.00; 1704.00]   Show Hide
Inp 1704.00 NIST
Inp 1689.00 NIST
Inp 1689.00 NIST
Inp 1677.00 NIST
Inp 1701.00 NIST
Tboil 767.67 K Joback Calculated Property
Tc 1025.00 K Joback Calculated Property
Tfus 642.97 K Joback Calculated Property
Vc 0.652 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [524.76; 618.77] J/mol×K [767.67; 1025.00] Show Hide
Cp,gas 524.76 J/mol×K 767.67 Joback Calculated Property
Cp,gas 542.80 J/mol×K 810.56 Joback Calculated Property
Cp,gas 559.87 J/mol×K 853.45 Joback Calculated Property
Cp,gas 575.99 J/mol×K 896.34 Joback Calculated Property
Cp,gas 591.16 J/mol×K 939.22 Joback Calculated Property
Cp,gas 605.41 J/mol×K 982.11 Joback Calculated Property
Cp,gas 618.77 J/mol×K 1025.00 Joback Calculated Property

Similar Compounds

Secobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-. Thiamylal. Butalbital. Aprobarbital. 5-Allyl-5-butylbarbituric acid. Cyclopentobarbital. Butabarbital. Barbituric acid, 5-allyl-5-neopentyl-. Pentobarbital. 5-(3-Methyl-2-butenyl)-5-isoPrbarbital. Barbituric acid, 5-(2-bromoallyl)-5-propyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methylethyl)-5-(2-propenyl)-. Barbituric acid, 5-(2-propenyl)-5-(2-hydroxypropyl). Brallobarbital M (des-Br, OH).

Find more compounds similar to Talbutal.

Sources

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