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1,3,5,7-Tetroxane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-148.24 ± 0.16kcal/molCcrMansson, Morawetz, et al., 1969ALS
Quantity Value Units Method Reference Comment
gas82.6 ± 1.1cal/mol*KN/AClegg G.A., 1969GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.24250.Dorofeeva O.V., 1992p=1 bar.; GT
12.09100.
15.66150.
19.51200.
25.588273.15
27.8 ± 1.1298.15
27.949300.
36.776400.
44.728500.
51.403600.
56.919700.
61.494800.
65.313900.
68.5251000.
71.2401100.
73.5441200.
75.5111300.
77.1941400.
78.6451500.

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-167.27 ± 0.12kcal/molCcrMansson, Morawetz, et al., 1969ALS
Quantity Value Units Method Reference Comment
Deltacsolid-482.19 ± 0.11kcal/molCcrMansson, Morawetz, et al., 1969Corresponding «DELTA»fsolid = -167.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar40.03cal/mol*KN/AClegg and Melia, 1969Extrapolation below 80 K, 50.3 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
33.991298.15Clegg and Melia, 1969T = 80 TO 420 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple385.KN/AClegg and Melia, 1969Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltasub19.0 ± 0.05kcal/molCPedley and Rylance, 1977See also Mansson, Morawetz, et al., 1969.; AC
Deltasub19.03 ± 0.05kcal/molCMansson, Morawetz, et al., 1969ALS
Deltasub19.0kcal/molN/AMansson, Morawetz, et al., 1969DRB

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
5.399385.Domalski and Hearing, 1996AC
5.4015385.Clegg and Melia, 1969DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
14.0385.Clegg and Melia, 1969DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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 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
Deltar2.9 ± 0.2kcal/molCmBogdanova, Bonetskaya, et al., 1971crystal phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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 Organic Synthesis Lab, MSU, Moscow.TRC 1463
NIST MS number 326794

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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]

Clegg G.A., 1969
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. Part III. The heat capacity, entropy, enthalpy and free energy of tetroxan, Makromol. Chem., 1969, 123, 184-193. [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]

Clegg and Melia, 1969
Clegg, G.A.; Melia, T.P., Thermodynamics of polymerization of heterocyclic compounds. Part III. The heat capacity, entropy, enthalpy and free energy of tetroxan, Makromol. Chem., 1969, 123, 184-193. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]


Notes

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