1,2-Dioxin, 3,6-dihydro-
- Formula: C4H6O2
- Molecular weight: 86.0892
- IUPAC Standard InChI: InChI=1S/C4H6O2/c1-2-4-6-5-3-1/h1-2H,3-4H2
- IUPAC Standard InChIKey: JHUUPUMBZGWODW-UHFFFAOYSA-N
- CAS Registry Number: 18715-02-1
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.52 | 50. | Dorofeeva O.V., 1992 | p=1 bar. |
| 38.20 | 100. | ||
| 47.34 | 150. | ||
| 59.19 | 200. | ||
| 79.58 | 273.15 | ||
| 86.9 ± 4.0 | 298.15 | ||
| 87.48 | 300. | ||
| 116.06 | 400. | ||
| 140.79 | 500. | ||
| 161.07 | 600. | ||
| 177.65 | 700. | ||
| 191.35 | 800. | ||
| 202.80 | 900. | ||
| 212.46 | 1000. | ||
| 220.64 | 1100. | ||
| 227.62 | 1200. | ||
| 233.59 | 1300. | ||
| 238.72 | 1400. | ||
| 243.15 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.5 | PE | Kimura, Katsumata, et al., 1981 | LLK |
| 9.66 | PE | Kondo, Tanimoto, et al., 1980 | LLK |
| 9.92 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Kondo, Tanimoto, et al., 1980
Kondo, T.; Tanimoto, M.; Matsumoto, M.; Nomoto, K.; Achiba, Y.; Kimura, K.,
Cyclic peroxides: Dihedral angle around the peroxide bond by microwave photoelectron spectroscopic studies,
Tetrahedron Lett., 1980, 21, 1649. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - 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.