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

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Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafgas-293.kJ/molSemiStewart, 2004 
Deltafgas-387.9 ± 1.5kJ/molCcrImamura, Takahashi, et al., 1989ALS

Condensed phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafsolid-478.3 ± 1.2kJ/molCcrImamura, Takahashi, et al., 1989ALS
Deltafsolid-478.6 ± 0.87kJ/molCcrJohnson and Prosen, 1985ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3169.04 ± 0.82kJ/molCcrImamura, Takahashi, et al., 1989ALS
Deltacsolid-3168.69 ± 0.83kJ/molCcrJohnson and Prosen, 1985ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
207.298.15Imamura, Takahashi, et al., 1989One temperature, estimated.; DH

Phase change data

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

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

Quantity Value Units Method Reference Comment
Deltasub90.33 ± 0.94kJ/molCImamura, Takahashi, et al., 1989ALS
Deltasub88.2 ± 1.3kJ/molCImamura, Takahashi, et al., 1989See also Murata, Sakiyama, et al., 1985.; AC
Deltasub90.3 ± 1.0kJ/molCImamura, Takahashi, et al., 1989See also Murata, Sakiyama, et al., 1985.; AC
Deltasub88.2 ± 1.3kJ/molCImamura, Murata, et al., 1988AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
90.330298.15N/AImamura, Takahashi, et al., 1989DH
86.6 ± 1.3338.CImamura, Murata, et al., 1988Based on data from 330. - 346. K.; AC

Entropy of sublimation

DeltasubS (J/mol*K) Temperature (K) Reference Comment
303.0298.15Imamura, Takahashi, et al., 1989DH

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
18.1395.2DSCHandelsman-Benory, Botoshansky, et al., 2000Based on data from 298. - 523. K.; AC

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes

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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Humboldt-Universitat zu Berlin, Department of Chemistry, Analytical Group
NIST MS number 287560

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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