1,3,6-Trioxocane
- Formula: C5H10O3
- Molecular weight: 118.1311
- IUPAC Standard InChI: InChI=1S/C5H10O3/c1-3-7-5-8-4-2-6-1/h1-5H2
- IUPAC Standard InChIKey: AUAGGMPIKOZAJZ-UHFFFAOYSA-N
- CAS Registry Number: 1779-19-7
- 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: Diethylene glycol formal; Diglycol formal; 1,3,6-Trioxacyclooctane; 1,3,6-Trioxocin, tetrahydro-; l,3,6-Trioxocane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- 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, Phase change data, 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 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 | -111.7 ± 0.29 | kcal/mol | Ccr | Bystrm and Mansson, 1982 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.975 | 50. | Dorofeeva O.V., 1992 | p=1 bar.; GT |
| 12.51 | 100. | ||
| 16.63 | 150. | ||
| 21.06 | 200. | ||
| 28.411 | 273.15 | ||
| 31.1 ± 1.1 | 298.15 | ||
| 31.269 | 300. | ||
| 41.663 | 400. | ||
| 50.652 | 500. | ||
| 58.021 | 600. | ||
| 64.070 | 700. | ||
| 69.099 | 800. | ||
| 73.327 | 900. | ||
| 76.907 | 1000. | ||
| 79.959 | 1100. | ||
| 82.567 | 1200. | ||
| 84.806 | 1300. | ||
| 86.733 | 1400. | ||
| 88.399 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 11.66 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 11.66 ± 0.050 | kcal/mol | C | Bystrm and Mansson, 1982 | ALS |
| ΔvapH° | 11.7 | kcal/mol | N/A | Bystrm and Mansson, 1982 | DRB |
| ΔvapH° | 11.7 ± 0.05 | kcal/mol | C | Bystr«65533»m and M«65533»nsson, 1982 | AC |
Gas phase ion energetics 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.23 | EI | Collin and Conde, 1966 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 13.16 | ? | EI | Collin and Conde, 1966 | |
| C2H4O+ | 10.03 | ? | EI | Collin and Conde, 1966 | |
| C3H6O+ | 11.4 | ? | EI | Collin and Conde, 1966 | |
| C4H8O2+ | 9.92 | CH2O | EI | Collin and Conde, 1966 |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
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]
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]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Bystr«65533»m and M«65533»nsson, 1982
Bystr«65533»m, Katarina; M«65533»nsson, Margret,
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, 5, 565, https://doi.org/10.1039/p29820000565
. [all data]
Collin and Conde, 1966
Collin, J.E.; Conde, G.,
L'ionisation et la dissociation des polyethers cycliques soumis a l'impact electronique,
Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 978. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization 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.