1,3,5-Triazine, 2,4,6-trimethoxy-

• Formula: C₆H₉N₃O₃
• Molecular weight: 171.1540
• IUPAC Standard InChI: InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3 Copy

  
• IUPAC Standard InChIKey: DFUGJTBMQKRCPI-UHFFFAOYSA-N Copy
• CAS Registry Number: 877-89-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: s-Triazine, 2,4,6-trimethoxy-; Trimethyl cyanurate; 2,4,6-Trimethoxy-s-triazine; 2,4,6-Trimethoxy-1,3,5-triazine; 2,4,6-Trimethoxy-[1,3,5]-triazin
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of sublimation

Entropy of sublimation

Enthalpy of fusion

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Imamura, Takahashi, et al., 1989
Imamura, A.; Takahashi, K.; Murata, S.; Sakiyama, M., Standard enthalpies of formation of trimethyl cyanurate, malonamide, and 1,3-dimethyluracil, J. Chem. Thermodyn., 1989, 21, 237-246. [all data]

Johnson and Prosen, 1985
Johnson, W.H.; Prosen, E.J., Determination of the enthalpies of combustion and formation of substituted triazines in an adiabatic rotating bomb calorimeter, J. Res. NBS, 1985, 90, 295-303. [all data]

Murata, Sakiyama, et al., 1985
Murata, S.; Sakiyama, M.; Seki, S., Sublimation calorimetric studies using a calvet microcalorimeter, Thermochimica Acta, 1985, 88, 1, 121-126, https://doi.org/10.1016/0040-6031(85)85419-8 . [all data]

Imamura, Murata, et al., 1988
Imamura, A.; Murata, S.; Sakiyama, M., Combustion and sublimation calorimetric studies on acetylurea and trimethyl isocyanurate, J. Chem. Thermodyn., 1988, 20, 389-396. [all data]

Handelsman-Benory, Botoshansky, et al., 2000
Handelsman-Benory, Eidit; Botoshansky, Mark; Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem, Methyl Rearrangement of Methoxy-Triazines in the Solid- and Liquid-State, Tetrahedron, 2000, 56, 36, 6887-6897, https://doi.org/10.1016/S0040-4020(00)00510-X . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔsubS	Entropy of sublimation

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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