1,3,5,7-Tetroxane
- Formula: C4H8O4
- Molecular weight: 120.1039
- 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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Gas phase thermochemistry data
Go To: Top, 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 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 |
---|---|---|---|---|---|
ΔfH°gas | -620.24 ± 0.67 | kJ/mol | Ccr | Mansson, Morawetz, et al., 1969 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 345.6 ± 4.6 | J/mol*K | N/A | Clegg G.A., 1969 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.67 | 50. | Dorofeeva O.V., 1992 | p=1 bar.; GT |
50.59 | 100. | ||
65.52 | 150. | ||
81.62 | 200. | ||
107.06 | 273.15 | ||
116.3 ± 4.5 | 298.15 | ||
116.94 | 300. | ||
153.87 | 400. | ||
187.14 | 500. | ||
215.07 | 600. | ||
238.15 | 700. | ||
257.29 | 800. | ||
273.27 | 900. | ||
286.71 | 1000. | ||
298.07 | 1100. | ||
307.71 | 1200. | ||
315.94 | 1300. | ||
322.98 | 1400. | ||
329.05 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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 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 |
---|---|---|---|---|---|
Ttriple | 385. | K | N/A | Clegg and Melia, 1969 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 79.6 ± 0.2 | kJ/mol | C | Pedley and Rylance, 1977 | See also Mansson, Morawetz, et al., 1969.; AC |
ΔsubH° | 79.6 ± 0.2 | kJ/mol | C | Mansson, Morawetz, et al., 1969 | ALS |
ΔsubH° | 79.6 | kJ/mol | N/A | Mansson, Morawetz, et al., 1969 | DRB |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.59 | 385. | Domalski and Hearing, 1996 | AC |
22.600 | 385. | Clegg and Melia, 1969 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
58.7 | 385. | Clegg and Melia, 1969 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid S°gas Entropy of gas at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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