Chemical Properties of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl- (CAS 827-16-7)

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-

InChI
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3
InChI Key
AHWDQDMGFXRVFB-UHFFFAOYSA-N
Formula
C6H9N3O3
SMILES
Cn1c(=O)n(C)c(=O)n(C)c1=O
Molecular Weight1
171.15
CAS
827-16-7
Other Names
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
  • Isocyanuric acid, trimethyl ester
  • Methyl isocyanate trimer
  • Trimethyl isocyanurate
  • 1,3,5-Trimethyl-2,4,6-trioxohexahydrotriazine
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Physical Properties

Property Value Unit Source
ΔcH°solid -2968.59 ± 0.49 kJ/mol NIST
ΔfH°gas -590.50 ± 1.60 kJ/mol NIST
ΔfH°solid -678.70 ± 1.00 kJ/mol NIST
ΔsubH° 88.20 ± 1.20 kJ/mol NIST
IE 8.75 eV Relay (1.0) Calculated Property
logPoct/wat -2.217 Crippen Calculated Property
McVol 119.190 ml/mol McGowan Calculated Property
Tboil 547.20 K NIST
Tfus 494.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-. 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-. 1,3,7,9-Tetramethyluric acid. 6-Chloro-1,3-Dimethyluracil. 2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-. 6-AMINO-1,3-DIMETHYLURACIL. 2,4(1H,3H)-Pyrimidinedione, 1,3,6-trimethyl-. 8-CHLOROTHEOPHYLLINE. Caffeine, 8-chloro. caffeine. Hexazinone. Theophylline. Theophylline. Uracil, 6-amino-1,3-dimethyl-5-nitroso-. 1,5,7-Trimethyl-2-nitro-imidazo[4,5,d]pyrimidin-4,6-dione.

Find more compounds similar to 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-.

Sources

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