1,3-Dioxolane
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChI: InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
- IUPAC Standard InChIKey: WNXJIVFYUVYPPR-UHFFFAOYSA-N
- CAS Registry Number: 646-06-0
- 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: Ethylene glycol formal; Formal glycol; Glycolformal; 1,3-Dioxacyclopentane; 1,3-Dioxolan; 1,3-Dioxole, dihydro-; Dioxolan; Dioxolane
- 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, 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 | -72.10 ± 0.53 | kcal/mol | Ccb | Pihlaja and Heikklia, 1969 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 74.21 ± 0.98 | cal/mol*K | N/A | Clegg G.A., 1969 | This calorimetric value of S(298.15 K) is 10.8 J/mol*K larger than that obtained by statistical calculation [ Dorofeeva O.V., 1992]. However, statistical value agrees well with estimation by difference method [ Dorofeeva O.V., 1992].; GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 9.116 | 50. | Dorofeeva O.V., 1992 | p=1 bar.; GT |
| 9.720 | 100. | ||
| 10.65 | 150. | ||
| 12.17 | 200. | ||
| 15.58 | 273.15 | ||
| 16.97 ± 0.96 | 298.15 | ||
| 17.08 | 300. | ||
| 22.89 | 400. | ||
| 28.224 | 500. | ||
| 32.715 | 600. | ||
| 36.446 | 700. | ||
| 39.558 | 800. | ||
| 42.175 | 900. | ||
| 44.391 | 1000. | ||
| 46.276 | 1100. | ||
| 47.885 | 1200. | ||
| 49.261 | 1300. | ||
| 50.447 | 1400. | ||
| 51.470 | 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3H6O2+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.9 | PE | Sweigart and Turner, 1972 | LLK |
| 10.02 | EI | Collin and Conde, 1966 | RDSH |
| 10.1 | PE | Sweigart and Turner, 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H2O+ | 13.20 | ? | EI | Collin and Conde, 1966 | RDSH |
| C2H3O+ | 14.14 | ? | EI | Collin and Conde, 1966 | RDSH |
| C2H4O+ | 10.87 | CH2O | EI | Holmes, Terlouw, et al., 1976 | LLK |
| C2H4O+ | 11.56 | ? | EI | Collin and Conde, 1966 | RDSH |
| C2H5O+ | 12.45 | ? | EI | Collin and Conde, 1966 | RDSH |
| C3H5O2+ | 10.38 | H | EI | Collin and Conde, 1966 | RDSH |
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.
Pihlaja and Heikklia, 1969
Pihlaja, K.; Heikklia, J.,
Enthalpies of formation of cyclic acetals. 1,3-dioxolane, 2-methyl-1,3-dioxolane, and 2,4-dimethyl-1,3-dioxolanes,
Acta Chem. Scand., 1969, 23, 1053-1055. [all data]
Clegg G.A., 1969
Clegg G.A.,
Thermodynamics of polymerization of heterocyclic compounds. Part V. The heat capacity, entropy, enthalpy and free energy of 1,3-dioxolan and poly-1,3-dioxolan,
Polymer, 1969, 10, 912-922. [all data]
Dorofeeva O.V., 1992
Dorofeeva O.V.,
Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings,
Thermochim. Acta, 1992, 194, 9-46. [all data]
Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W.,
Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem.,
J. Am. Chem. Soc., 1972, 94, 5599. [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]
Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P.,
The thermochemistry of C2H4O+ ions,
J. Phys. Chem., 1976, 80, 2860. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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
- 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.