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1,3,5-Trioxane

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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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-465.76 ± 0.50kJ/molCcrMansson, Morawetz, et al., 1969ALS
Deltafgas-489.5kJ/molN/AWalker and Carlisle, 1943Value computed using «DELTA»fHsolid° value of -546.0±11.0 kj/mol from Walker and Carlisle, 1943 and «DELTA»subH° value of 56.5 kj/mol from Mansson, Morawetz, et al., 1969.; DRB
Deltafgas-464.0kJ/molN/ADelepine and Badoche, 1942Value computed using «DELTA»fHsolid° value of -520.5 kj/mol from Delepine and Badoche, 1942 and «DELTA»subH° value of 56.5 kj/mol from Mansson, Morawetz, et al., 1969.; DRB
Quantity Value Units Method Reference Comment
gas284.9 ± 3.4J/mol*KN/AClegg G.A., 1968GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.5050.Dorofeeva O.V., 1992p=1 bar. Selected values are in close agreement with those calculated by [ Melia T.P., 1967].; GT
38.63100.
47.52150.
57.69200.
75.24273.15
81.9 ± 3.5298.15
82.38300.
109.75400.
134.80500.
155.90600.
173.34700.
187.80800.
199.87900.
210.021000.
218.601100.
225.891200.
232.121300.
237.451400.
242.051500.

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

Quantity Value Units Method Reference Comment
Deltafsolid-522.3 ± 0.4kJ/molCcrMansson, Morawetz, et al., 1969ALS
Deltafsolid-546. ± 11.kJ/molCcbWalker and Carlisle, 1943ALS
Deltafsolid-520.49kJ/molCcbDelepine and Badoche, 1942Author's hf298_condensed=-125.55 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1515.3kJ/molCcbHayes, 1971Corresponding «DELTA»fsolid = -522.71 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1515.7 ± 0.3kJ/molCcrMansson, Morawetz, et al., 1969Corresponding «DELTA»fsolid = -522.33 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1492. ± 1.kJ/molCcbWalker and Carlisle, 1943Corresponding «DELTA»fsolid = -545.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1518.kJ/molCcbDelepine and Badoche, 1942Author's hf298_condensed=-125.55 kcal/mol; Corresponding «DELTA»fsolid = -520.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar142.89J/mol*KN/Avan Bommel, van Miltenburg, et al., 1988DH
solid,1 bar133.0J/mol*KN/AClegg, Melia, et al., 1968DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
113.08298.15van Bommel, van Miltenburg, et al., 1988T = 10 to 350 K.; DH
111.4298.15Clegg, Melia, et al., 1968T = 80 to 310 K.; DH

Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

41,3,5-Trioxane = 31,3,5,7-Tetroxane

By formula: 4C3H6O3 = 3C4H8O4

Quantity Value Units Method Reference Comment
Deltar12. ± 0.8kJ/molCmBogdanova, Bonetskaya, et al., 1971crystal phase

1,3,5-Trioxane = 3Formaldehyde

By formula: C3H6O3 = 3CH2O

Quantity Value Units Method Reference Comment
Deltar194.0 ± 2.5kJ/molEqkBusfield and Merigold, 1969solid phase

3Formaldehyde = 1,3,5-Trioxane

By formula: 3CH2O = C3H6O3

Quantity Value Units Method Reference Comment
Deltar-139.2 ± 2.1kJ/molEqkBusfield and Merigold, 1969gas phase

References

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

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

Mansson, Morawetz, et al., 1969
Mansson, M.; Morawetz, E.; Nakase, Y.; Sunner, S., The enthalpies of formation of trioxane and tetroxane, Acta Chem. Scand., 1969, 23, 56-60. [all data]

Walker and Carlisle, 1943
Walker, J.F.; Carlisle, P.J., Trioxane, Chem. Eng. News, 1943, 21, 1250-1251. [all data]

Delepine and Badoche, 1942
Delepine, M.; Badoche, M., Thermochimie de l'aldehyde formique, de l'hexamethylene-tetramine et de ses derive, C. R. Acad. Sci. Paris, 1942, 214, 777-780. [all data]

Clegg G.A., 1968
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. I. The heat capacity, entropy, and enthalpy of trioxane, Polymer, 1968, 9, 75-79. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings, Thermochim. Acta, 1992, 200, 121-150. [all data]

Melia T.P., 1967
Melia T.P., Thermodynamics of addition polymerization. I. The system trioxane-polyoxymethylene, J. Appl. Chem., 1967, 17, 15-17. [all data]

Hayes, 1971
Hayes, C.W., Bomb calorimetric studies on normal alkan-1-ols, steroregular polymethylmethacrylates, «alpha»-olefinic polymers, trioxane and oxygenated polymers, Diss. Abs., 1971, 31, 5903-5904. [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]

Clegg, Melia, et al., 1968
Clegg, G.A.; Melia, T.P.; Tyson, A., Thermodynamics of polymerization of heterocyclic compounds. I. The heat capacity, entropy and enthalpy of trioxan, Polymer, 1968, 9(2), 75-79. [all data]

Bogdanova, Bonetskaya, et al., 1971
Bogdanova, K.A.; Bonetskaya, A.K.; Berlin, A.A.; Rakova, G.V.; Enikolopyan, N.S., Thermal effects of trioxane and tetraoxane polymerization, Dokl. Akad. Nauk SSSR, 1971, 197, 618-620. [all data]

Busfield and Merigold, 1969
Busfield, W.K.; Merigold, D., The gas-phase equilibrium between trioxan and formaldehyde: The standard enthalpy and entropy of the trimerisation of formaldehyde, J. Chem. Soc. A, 1969, 19, 2975-2977. [all data]


Notes

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