Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy- (CAS 3237-50-1)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-

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InChI
InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)
InChI Key
ZIIHZVKHFWOENY-UHFFFAOYSA-N
Formula
C4H4N2O5
SMILES
O=C1NC(=O)C(O)(O)C(=O)N1
Molecular Weight1
160.09
CAS
3237-50-1
Other Names
  • 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
  • 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
  • 5,5-dihydroxyperhydropyrimidinetrione
  • Alloxan
  • Barbituric acid, 5,5-dihydroxy-
  • Mesoxalylcarbamide monohydrate
  • Mesoxalylurea monohydrate
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Physical Properties

Property Value Unit Source
Δcsolid -1144.70 ± 0.67 kJ/mol NIST
Δf -464.23 kJ/mol Joback Calculated Property
Δfgas -698.27 kJ/mol Joback Calculated Property
Δfsolid -1004.20 kJ/mol NIST
Δfus 17.54 kJ/mol Joback Calculated Property
Δvap 83.39 kJ/mol Joback Calculated Property
log10WS [-1.25; -1.25]   Show Hide
log10WS -1.25 Aq. Sol...
log10WS -1.25 Estimat...
logPoct/wat -2.967 Crippen Calculated Property
McVol 92.770 ml/mol McGowan Calculated Property
Pc 9744.98 kPa Joback Calculated Property
Tboil 795.63 K Joback Calculated Property
Tc 1034.78 K Joback Calculated Property
Tfus 702.48 K Joback Calculated Property
Vc 0.324 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [272.94; 321.38] J/mol×K [795.63; 1034.78] Show Hide
Cp,gas 272.94 J/mol×K 795.63 Joback Calculated Property
Cp,gas 282.01 J/mol×K 835.49 Joback Calculated Property
Cp,gas 290.70 J/mol×K 875.35 Joback Calculated Property
Cp,gas 298.99 J/mol×K 915.20 Joback Calculated Property
Cp,gas 306.88 J/mol×K 955.06 Joback Calculated Property
Cp,gas 314.35 J/mol×K 994.92 Joback Calculated Property
Cp,gas 321.38 J/mol×K 1034.78 Joback Calculated Property

Similar Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-hydroxy-. Uroxine. Barbituric acid, 5-hydroxy-5-thiosemicarbazido-. 5-methyl-5-propyl-1,3-diazinane-2,4,6-trione. 7,9-diazaspiro[4.5]decane-6,8,10-trione. Butethal. Pentobarbital. Barbituric acid, 5-ethyl-5-(3-hydroxyisopentyl)-. Barbituric acid. Violuric acid. 2,4-diazaspiro[5.5]undecane-1,3,5-trione. Spiro[cyclooctane-1,5'(6'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione. 5-ethyl-5-octyl-1,3-diazinane-2,4,6-trione. 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione. Hexethal.

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-.

Sources

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