Chemical Properties of Butalbital (CAS 77-26-9)

Butalbital

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InChI
InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChI Key
UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Formula
C11H16N2O3
SMILES
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
Molecular Weight1
224.26
CAS
77-26-9
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-
  • 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid
  • 5-Allyl-5-(2-methylpropyl)barbituric acid
  • 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-isobutylbarbituric acid
  • Alisobumal
  • Allylbarbital
  • Allylbarbitone
  • Allylbarbituric acid
  • Allylisobutylbarbital
  • Allylisobutylbarbituric acid
  • Barbituric acid, 5-allyl-5-isobutyl-
  • Butalbarbital
  • Isobutylallylbarbituric acid
  • Isobutylallylbarturic acid
  • Itobarbital
  • Optalidon
  • Profundal
  • Sandoptal
  • Tetrallobarbital
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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 [-2.12; -2.12]   Show Hide
log10WS -2.12 Aq. Sol...
log10WS -2.12 Rytting...
logPoct/wat 0.961 Crippen Calculated Property
McVol 175.360 ml/mol McGowan Calculated Property
Pc 3022.28 kPa Joback Calculated Property
Inp [1632.00; 1706.10]   Show Hide
Inp 1684.00 NIST
Inp 1694.00 NIST
Inp 1658.00 NIST
Inp 1690.00 NIST
Inp 1704.50 NIST
Inp 1674.00 NIST
Inp 1634.00 NIST
Inp 1637.00 NIST
Inp 1684.00 NIST
Inp 1670.00 NIST
Inp 1706.10 NIST
Inp 1642.00 NIST
Inp 1632.00 NIST
Inp 1643.00 NIST
Inp 1685.00 NIST
Inp 1668.00 NIST
Inp 1684.00 NIST
Inp 1642.00 NIST
Tboil 767.67 K Joback Calculated Property
Tc 1025.00 K Joback Calculated Property
Tfus 411.75 K Aq. Sol...
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

Barbituric acid, 5-allyl-5-neopentyl-. 5-Allyl-5-butylbarbituric acid. Talbutal. Secobarbital. Brallobarbital M (des-Br, OH). Barbituric acid, 5-(2-bromoallyl)-5-propyl-. Barbituric acid, 5-(2-propenyl)-5-(2-hydroxypropyl). Barbituric acid, 5-propyl-5-(2-methylpropyl). Allobarbital. Aprobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-. Thiamylal. Cyclopentobarbital. Amobarbital.

Find more compounds similar to Butalbital.

Sources

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