1,3,5,7-Tetroxane
- Formula: C4H8O4
- Molecular weight: 120.1039
- IUPAC Standard InChI: InChI=1S/C4H8O4/c1-5-2-7-4-8-3-6-1/h1-4H2
- IUPAC Standard InChIKey: XGJWQNKXTXSVML-UHFFFAOYSA-N
- CAS Registry Number: 293-30-1
- 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: 1,3,5,7-Tetraoxoacane; 1,3,5,7-Tetroxocane
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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 |
|---|---|---|---|---|---|
| ΔfH°solid | -699.86 ± 0.50 | kJ/mol | Ccr | Mansson, Morawetz, et al., 1969 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2017.5 ± 0.46 | kJ/mol | Ccr | Mansson, Morawetz, et al., 1969 | Corresponding ΔfHºsolid = -699.86 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 167.5 | J/mol*K | N/A | Clegg and Melia, 1969 | Extrapolation below 80 K, 50.3 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 142.22 | 298.15 | Clegg and Melia, 1969 | T = 80 TO 420 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
4 = 3
By formula: 4C3H6O3 = 3C4H8O4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12. ± 0.8 | kJ/mol | Cm | Bogdanova, Bonetskaya, et al., 1971 | crystal phase |
References
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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 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]
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
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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