Chemical Properties of Phenylmethylbarbituric acid (CAS 76-94-8)

Phenylmethylbarbituric acid

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InChI
InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)
InChI Key
LSAOZCAKUIANSQ-UHFFFAOYSA-N
Formula
C11H10N2O3
SMILES
CC1(c2ccccc2)C(=O)NC(=O)NC1=O
Molecular Weight1
218.21
CAS
76-94-8
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-phenyl-
  • 5-Methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Methyl-5-phenylbarbituric acid
  • 5-Methyl-5-phenylbarbityric acid
  • 5-Phenyl-5-methylbarbituric acid
  • 5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • Barbituric acid, 5-methyl-5-phenyl-
  • Eudan
  • Heptobarbital
  • Mephebarbital
  • Methylphenylbarbital
  • NSC 80543
  • Rutonal
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Physical Properties

Property Value Unit Source
Δf -19.24 kJ/mol Joback Calculated Property
Δfgas -301.76 kJ/mol Joback Calculated Property
Δfus 21.53 kJ/mol Joback Calculated Property
Δvap 67.89 kJ/mol Joback Calculated Property
log10WS -2.46 Aq. Sol...
logPoct/wat 0.310 Crippen Calculated Property
McVol 155.900 ml/mol McGowan Calculated Property
Pc 4227.54 kPa Joback Calculated Property
Inp [1860.00; 1880.00]   Show Hide
Inp 1860.00 NIST
Inp 1880.00 NIST
Tboil 798.11 K Joback Calculated Property
Tc 1096.03 K Joback Calculated Property
Tfus 497.40 K Aq. Sol...
Vc 0.570 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [457.83; 543.87] J/mol×K [798.11; 1096.03] Show Hide
Cp,gas 457.83 J/mol×K 798.11 Joback Calculated Property
Cp,gas 475.06 J/mol×K 847.76 Joback Calculated Property
Cp,gas 491.09 J/mol×K 897.42 Joback Calculated Property
Cp,gas 505.95 J/mol×K 947.07 Joback Calculated Property
Cp,gas 519.67 J/mol×K 996.73 Joback Calculated Property
Cp,gas 532.30 J/mol×K 1046.38 Joback Calculated Property
Cp,gas 543.87 J/mol×K 1096.03 Joback Calculated Property

Similar Compounds

Phenobarbital. 5-Ethyl-5-p-tolylbarbituric acid. Barbituric acid, 5-allyl-5-phenyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-hydroxyphenyl)-. 5-Ethyl-5-(4-acetoxyphenyl)-hexahydropyrimidin-2,4,6-trione. Primidone. Mephobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-5-phenyl-. Methylphenobarbital, M(HO-), AC. Barbituric acid, 5-methyl-5-phenyl perethylated. «alpha»-Methyl-«alpha»-phenylsuccinimide. 1-N-butyl-phenobarbital. Mephobarbital M (OH). Barbituric acid, 5-methyl-5-phenyl perbutylated. 2,4-Azetidinedione, 3-ethyl-3-phenyl-.

Find more compounds similar to Phenylmethylbarbituric acid.

Sources

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