1,3,5-Triazine

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas225.87 ± 0.89kJ/molCcrBystrom, 1982 
Δfgas224.7 ± 4.6kJ/molCmIniguez, Lopez, et al., 1982 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 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
Δcliquid-1782.6 ± 0.92kJ/molCcbJohnson and Prosen, 1985Private communication; ALS
Quantity Value Units Method Reference Comment
Δfsolid171.69 ± 0.77kJ/molCcrBystrom, 1982ALS
Quantity Value Units Method Reference Comment
Δcsolid-1780.96 ± 0.67kJ/molCcrBystrom, 1982ALS
Quantity Value Units Method Reference Comment
solid,1 bar125.97J/mol*KN/Avan Bommel, van Miltenburg, et al., 1988DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
95.57298.15van Bommel, van Miltenburg, et al., 1988T = 10 to 340 K.; DH
95.6298.15Briels and van Miltenburg, 1979T = 160 to 382 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Lithium ion (1+) + 1,3,5-Triazine = (Lithium ion (1+) • 1,3,5-Triazine)

By formula: Li+ + C3H3N3 = (Li+ • C3H3N3)

Quantity Value Units Method Reference Comment
Δr127. ± 13.kJ/molCIDTAmunugama and Rodgers, 2000 

Sodium ion (1+) + 1,3,5-Triazine = (Sodium ion (1+) • 1,3,5-Triazine)

By formula: Na+ + C3H3N3 = (Na+ • C3H3N3)

Quantity Value Units Method Reference Comment
Δr88. ± 3.kJ/molCIDTAmunugama and Rodgers, 2000 

Potassium ion (1+) + 1,3,5-Triazine = (Potassium ion (1+) • 1,3,5-Triazine)

By formula: K+ + C3H3N3 = (K+ • C3H3N3)

Quantity Value Units Method Reference Comment
Δr55. ± 3.kJ/molCIDTAmunugama and Rodgers, 2000 

Gas phase ion energetics data

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

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)848.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity819.6kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.44999ETSNenner and Schultz, 1975G3MP2B3 calculations indicate an EA of ca. 0.1 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PEShahbaz, Urano, et al., 1984LBLHLM
9.98PEGleiter, Heilbronner, et al., 1972LLK
10.01 ± 0.01PEFridh, Asbrink, et al., 1972LLK
10.1PEBrundle, Robin, et al., 1972LLK
10.07 ± 0.05EIOmura, Baba, et al., 1957RDSH
10.51PEShahbaz, Urano, et al., 1984Vertical value; LBLHLM

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

Bystrom, 1982
Bystrom, K., The stabilization energy of 1,3,5-triazine derived from measurements of the enthalpies of combustion and sublimation, J. Chem. Thermodyn., 1982, 14, 865-870. [all data]

Iniguez, Lopez, et al., 1982
Iniguez, J.C.; Lopez, M.E.; McEachern, D.M., Vapor pressure and sublimation enthalpy of s-triazine, Rev. Soc. Quim. Mex., 1982, 26, 122-124. [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]

van Bommel, van Miltenburg, et al., 1988
van Bommel, M.J.; van Miltenburg, J.C.; Schuijff, A., Heat-capacity measurements and thermodynamic functions of 1,3,5-triazine and 1,3,5-trioxane, J. Chem. Thermodynam., 1988, 20, 397-403. [all data]

Briels and van Miltenburg, 1979
Briels, W.J.; van Miltenburg, J.C., s-Triazine: heat capacities between 130 and 380 K, the solid state transition, and the enthalpy of melting, J. Chem. Phys., 1979, 70, 1064-1066. [all data]

Amunugama and Rodgers, 2000
Amunugama, R.; Rodgers, M.T., Absolute Alkali Metal Ion Binding Affinities of Several Azines Determined by Threshold Collision-Induced Dissociation and Ab Initio Theory, Int. J. Mass Spectrom., 2000, 195/196, 439, https://doi.org/10.1016/S1387-3806(99)00145-1 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Nenner and Schultz, 1975
Nenner, I.; Schultz, G.J., Temporary negative ions and electron affinities of benzene and N-heterocyclic molecules: Pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine, J. Chem. Phys., 1975, 62, 1747. [all data]

Shahbaz, Urano, et al., 1984
Shahbaz, M.; Urano, S.; LeBreton, P.R.; Rossman, M.A.; Hosmane, R.S.; Leonard, N.J., Tri-s-triazine: Synthesis, chemical behavior and spectroscopic and theoretical probes of valence orbital structure, J. Am. Chem. Soc., 1984, 106, 2805. [all data]

Gleiter, Heilbronner, et al., 1972
Gleiter, R.; Heilbronner, E.; Hornung, V., Photoelectron spectra of azabenzenes azanaphthalenes: I. Pyridine, diazines s-triazine and s-tetrazine, Helv. Chim. Acta, 1972, 55, 255. [all data]

Fridh, Asbrink, et al., 1972
Fridh, C.; Asbrink, L.; Jonsson, B.O.; Lindholm, E., Rydberg series in small molecules. XIV. Photoelectron, UV, mass and electron impact spectra of s-triazine, Int. J. Mass Spectrom. Ion Phys., 1972, 8, 85. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A., Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules, J. Am. Chem. Soc., 1972, 94, 1466. [all data]

Omura, Baba, et al., 1957
Omura, I.; Baba, H.; Higasi, K.; Kanaoka, Y., Ionization potentials of some organic molecules. V.Heterocyclic compo&jnds containing nitrogen, Bull. Chem. Soc. Japan, 1957, 30, 633. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References