Chemical Properties of Probarbital (CAS 76-76-6)

Probarbital

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InChI
InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChI Key
HHLXJTDUHFBYAU-UHFFFAOYSA-N
Formula
C9H14N2O3
SMILES
CCC1(C(C)C)C(=O)NC(=O)NC1=O
Molecular Weight1
198.22
CAS
76-76-6
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-
  • 5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-isopropylbarbituric acid
  • Barbituric acid, 5-ethyl-5-isopropyl-
  • Ethylisopropylbarbituric acid
  • Ipral
  • Irenal
  • Isopropyl ethyl barbituric acid
  • NSC 120742
  • Probarbitone
  • Vasalgin
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Physical Properties

Property Value Unit Source
Δf -150.93 kJ/mol Joback Calculated Property
Δfgas -502.29 kJ/mol Joback Calculated Property
Δfus 18.79 kJ/mol Joback Calculated Property
Δvap 60.77 kJ/mol Joback Calculated Property
log10WS [-2.21; -2.21]   Show Hide
log10WS -2.21 Aq. Sol...
log10WS -2.21 Estimat...
logPoct/wat 0.405 Crippen Calculated Property
McVol 151.480 ml/mol McGowan Calculated Property
Pc 3589.94 kPa Joback Calculated Property
Inp [1530.00; 1567.00]   Show Hide
Inp 1550.00 NIST
Inp 1530.00 NIST
Inp 1567.00 NIST
Tboil 725.23 K Joback Calculated Property
Tc 989.41 K Joback Calculated Property
Tfus 474.48 K Aq. Sol...
Vc 0.559 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [441.01; 533.40] J/mol×K [725.23; 989.41] Show Hide
Cp,gas 441.01 J/mol×K 725.23 Joback Calculated Property
Cp,gas 458.67 J/mol×K 769.26 Joback Calculated Property
Cp,gas 475.43 J/mol×K 813.29 Joback Calculated Property
Cp,gas 491.29 J/mol×K 857.32 Joback Calculated Property
Cp,gas 506.23 J/mol×K 901.35 Joback Calculated Property
Cp,gas 520.27 J/mol×K 945.38 Joback Calculated Property
Cp,gas 533.40 J/mol×K 989.41 Joback Calculated Property

Similar Compounds

5,5-Diisopropylbarbituric acid. Butabarbital. Barbital. Pentobarbital. Aprobarbital. 5-ethyl-5-methyl-1,3-diazinane-2,4,6-trione. Amobarbital. 5-methyl-5-propyl-1,3-diazinane-2,4,6-trione. Barbituric acid, 5-propyl-5-(2-methylpropyl). 5-(3-Methyl-2-butenyl)-5-isoPrbarbital. Propallylonal. Barbituric acid, 5,5-dipropyl-. Butethal. 6,8-Diazaspiro[3.5]nonane-5,7,9-trione. 5-ethyl-5-octyl-1,3-diazinane-2,4,6-trione.

Find more compounds similar to Probarbital.

Sources

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