1,4-Dioxane
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChI: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
- IUPAC Standard InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
- CAS Registry Number: 123-91-1
- 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: p-Dioxane; p-Dioxan; Di(ethylene oxide); Diethylene dioxide; Diethylene ether; Dioxan; Dioxane; Dioxyethylene ether; 1,4-Diethylene dioxide; 1,4-Dioxan; 1,4-Dioxacyclohexane; Glycol ethylene ether; Tetrahydro-p-dioxin; Diokan; Dioksan; Diossano-1,4; Dioxaan-1,4; Dioxan-1,4; Dioxane-1,4; Dioxanne; NCI-C03689; Tetrahydro-1,4-dioxin; p-Dioxin, tetrahydro-; Rcra waste number U108; UN 1165; 1,4-Dioxin, tetrahydro-; 1,4-Diethyleneoxide; Glycol ethylene ether 8; NE 220; NSC 8728
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Gas phase thermochemistry data
Go To: Top, 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 | -315.30 ± 0.80 | kJ/mol | Ccr | Bystrm and Mansson, 1982 | Reanalyzed by Cox and Pilcher, 1970, Original value = -316.5 ± 0.9 kJ/mol; ALS |
| ΔfH°gas | -318. ± 2. | kJ/mol | Ccb | Snelson and Skinner, 1961 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 299.91 | J/mol*K | N/A | Stull D.R., 1969 | GT |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.85 | 50. | Dorofeeva O.V., 1992 | p=1 bar. Selected values are in close agreement with statistical values calculated by [ Ellestad O.H., 1971, Thermodynamics Research Center, 1997]. Heat capacities calculated by [ Malherbe F.E., 1952] are 2-3 J/mol*K larger than those given here.; GT |
| 41.06 | 100. | ||
| 51.71 | 150. | ||
| 63.63 | 200. | ||
| 84.31 | 273.15 | ||
| 92.1 ± 1.5 | 298.15 | ||
| 92.71 | 300. | ||
| 124.76 | 400. | ||
| 153.97 | 500. | ||
| 178.64 | 600. | ||
| 199.16 | 700. | ||
| 216.33 | 800. | ||
| 230.78 | 900. | ||
| 243.02 | 1000. | ||
| 253.43 | 1100. | ||
| 262.32 | 1200. | ||
| 269.94 | 1300. | ||
| 276.49 | 1400. | ||
| 282.15 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bystrm and Mansson, 1982
Bystrm, K.; Mansson, M.,
Enthalpies of formation of some cyclic 1,3- and 1,4-Di- and poly-ethers: Thermochemical strain in the -O-C-O and -O-C-C-O- groups,
J. Chem. Soc. Perkin Trans. 2, 1982, 565. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A.,
Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran,
Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [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]
Ellestad O.H., 1971
Ellestad O.H.,
The vibrational spectra of 1,4-dioxan-d0 and 1,4-dioxan-d8,
Spectrochim. Acta, 1971, A27, 1025-1048. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Malherbe F.E., 1952
Malherbe F.E.,
The infrared and Raman spectra of p-dioxane,
J. Am. Chem. Soc., 1952, 74, 4408-4410. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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