Chemical Properties of Allobarbital (CAS 52-43-7)

Allobarbital

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InChI
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChI Key
FDQGNLOWMMVRQL-UHFFFAOYSA-N
Formula
C10H12N2O3
SMILES
C=CCC1(CC=C)C(=O)NC(=O)NC1=O
Molecular Weight1
208.21
CAS
52-43-7
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
  • 5,5-Di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-Diallylbarbital
  • 5,5-Diallylbarbituric acid
  • 5,5-di(prop-2-enyl)-1,3-diazinane-2,4,6-trione
  • Allbarbital
  • Allobarbitone
  • Allybarbitural
  • Allylbarbitural
  • Alnox
  • Alobarbital
  • Barballyl
  • Barbidal
  • Barbituric acid, 5,5-diallyl-
  • Curral
  • Diadol
  • Dial
  • Dial (barbiturate)
  • Diallylbarbital
  • Diallymal
  • Dorm
  • Dormallyl
  • Malil
  • Malilum
  • NSC-9324
  • Novallyl
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Physical Properties

Property Value Unit Source
Δf 35.61 kJ/mol Joback Calculated Property
Δfgas -266.79 kJ/mol Joback Calculated Property
Δfus 22.34 kJ/mol Joback Calculated Property
Δvap 62.05 kJ/mol Joback Calculated Property
log10WS [-2.08; -1.80]   Show Hide
log10WS -2.06 Aq. Sol...
log10WS -2.08 Estimat...
log10WS -1.80 Rytting...
logPoct/wat 0.491 Crippen Calculated Property
McVol 156.970 ml/mol McGowan Calculated Property
Pc 3505.43 kPa Joback Calculated Property
Inp [1564.00; 1610.00]   Show Hide
Inp 1609.00 NIST
Inp 1586.00 NIST
Inp 1610.00 NIST
Inp 1595.00 NIST
Inp 1577.00 NIST
Inp 1577.00 NIST
Inp 1609.00 NIST
Inp 1575.00 NIST
Inp 1575.00 NIST
Inp 1605.00 NIST
Inp 1575.00 NIST
Inp 1564.00 NIST
Inp 1575.00 NIST
Inp 1604.00 NIST
Inp 1604.00 NIST
Inp 1606.00 NIST
Inp 1606.00 NIST
Inp 1606.00 NIST
Inp 1595.00 NIST
Inp 1609.00 NIST
Inp 1575.00 NIST
Tboil 741.91 K Joback Calculated Property
Tc 1005.43 K Joback Calculated Property
Tfus 445.00 ± 4.00 K NIST
Vc 0.584 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [444.87; 531.96] J/mol×K [741.91; 1005.43] Show Hide
Cp,gas 444.87 J/mol×K 741.91 Joback Calculated Property
Cp,gas 461.42 J/mol×K 785.83 Joback Calculated Property
Cp,gas 477.13 J/mol×K 829.75 Joback Calculated Property
Cp,gas 492.02 J/mol×K 873.67 Joback Calculated Property
Cp,gas 506.10 J/mol×K 917.59 Joback Calculated Property
Cp,gas 519.41 J/mol×K 961.51 Joback Calculated Property
Cp,gas 531.96 J/mol×K 1005.43 Joback Calculated Property
ΔfusH 32.31 kJ/mol 442.60 NIST

Similar Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. 5-allyl-5-methyl-barbituric acid. Brallobarbital. Aprobarbital. Crotarbital. Barbituric acid, 5-allyl-5-neopentyl-. Butalbital. 5-Allyl-5-butylbarbituric acid. Amobarbital M (OH, -H2O). Brallobarbital M (des-Br, OH). Talbutal. 5-(3-Methyl-2-butenyl)-5-isoPrbarbital. Secobarbital. Propallylonal. Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-.

Find more compounds similar to Allobarbital.

Sources

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