1,3-Dioxane
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChI: InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
- IUPAC Standard InChIKey: VDFVNEFVBPFDSB-UHFFFAOYSA-N
- CAS Registry Number: 505-22-6
- 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: m-Dioxane; m-Dioxin, dihydro-; 1,3-Dioxacyclohexane; 1,3-Propanediol formal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -338.4 ± 1.1 | kJ/mol | Ccr | Bystrm and Mansson, 1982 | ALS |
| ΔfH°gas | -349.6 | kJ/mol | N/A | Pihlaja and Luoma, 1968 | Value computed using ΔfHliquid° value of -384.6±1.8 kj/mol from Pihlaja and Luoma, 1968 and ΔvapH° value of 35.0 kj/mol from Pihlaja and Heikkila, 1967.; DRB |
| ΔfH°gas | -350. ± 2. | kJ/mol | Ccb | Pihlaja and Heikkila, 1967 | ALS |
| ΔfH°gas | -341. ± 2. | kJ/mol | Ccb | Snelson and Skinner, 1961 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.72 | 50. | Dorofeeva O.V., 1992 | p=1 bar. Selected values are in close agreement with statistically calculated values given in [ Thermodynamics Research Center, 1997]. The value of -(G-Ho)/T at 298.15 K obtained from absolute intensity measurements in the microwave spectrum [ Curl R.F., 1973] is 2 J/mol*K higher than that obtained by [ Dorofeeva O.V., 1992].; GT |
| 40.36 | 100. | ||
| 50.54 | 150. | ||
| 61.93 | 200. | ||
| 81.80 | 273.15 | ||
| 89.4 ± 1.5 | 298.15 | ||
| 89.97 | 300. | ||
| 121.54 | 400. | ||
| 150.80 | 500. | ||
| 175.77 | 600. | ||
| 196.67 | 700. | ||
| 214.19 | 800. | ||
| 228.96 | 900. | ||
| 241.46 | 1000. | ||
| 252.10 | 1100. | ||
| 261.17 | 1200. | ||
| 268.93 | 1300. | ||
| 275.61 | 1400. | ||
| 281.37 | 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]
Pihlaja and Luoma, 1968
Pihlaja, K.; Luoma, S.,
Heats of formation and conformational energies of 1,3-dioxane and its methyl homologues,
Acta Chem. Scand., 1968, 22, 2401-2414. [all data]
Pihlaja and Heikkila, 1967
Pihlaja, K.; Heikkila, J.,
The configurations of isomeric 2,2,4,6-tetramethyl-1,3-dioxanes,
Acta Chem. Scand., 1967, 21, 2430-2434. [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]
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]
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]
Curl R.F., 1973
Curl R.F.,
Determination of thermodynamic functions from absolute intensity measurements in microwave spectroscopy,
J. Am. Chem. Soc., 1973, 95, 6182-6190. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.