1,2,3-Trioxolane
- Formula: C2H4O3
- Molecular weight: 76.0514
- IUPAC Standard InChIKey: MAAKQSASDHJHIR-UHFFFAOYSA-N
- CAS Registry Number: 6669-36-9
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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 (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.383 | 50. | Dorofeeva O.V., 1992 | p=1 bar. |
11.01 | 100. | ||
12.31 | 150. | ||
14.07 | 200. | ||
17.39 | 273.15 | ||
18.6 ± 1.1 | 298.15 | ||
18.72 | 300. | ||
23.54 | 400. | ||
27.620 | 500. | ||
30.887 | 600. | ||
33.511 | 700. | ||
35.655 | 800. | ||
37.433 | 900. | ||
38.924 | 1000. | ||
40.184 | 1100. | ||
41.257 | 1200. | ||
42.175 | 1300. | ||
42.961 | 1400. | ||
43.640 | 1500. |
Vibrational and/or electronic energy levels
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 by: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
CH2 deform. | 1214 | m | Xe | IR | Kohlmiller and Andrews, 1981 | ||
CO st., CH2def. | 983 | s | Xe | IR | Kohlmiller and Andrews, 1981 | ||
CO st., CH2def. | 982 | CO2 | IR | Nelander and Nord, 1977 Kohlmiller and Andrews, 1981 | |||
CO stretch | 927 | s | Xe | IR | Kohlmiller and Andrews, 1981 | ||
CO stretch | 926 | CO2 | IR | Nelander and Nord, 1977 Kohlmiller and Andrews, 1981 | |||
O3 s-stretch | 846 | w m | Xe | IR | Kohlmiller and Andrews, 1981 | ||
COO def.,CO st. | 727 | vs | Xe | IR | Kohlmiller and Andrews, 1981 | ||
COO def.,CO st. | 726 | CO2 | IR | Nelander and Nord, 1977 Kohlmiller and Andrews, 1981 | |||
O3 a-stretch | 647 | vs | Xe | IR | Kohlmiller and Andrews, 1981 | ||
O3 a-stretch | 648 | CO2 | IR | Nelander and Nord, 1977 Kohlmiller and Andrews, 1981 | |||
O3 bend | 409 | m | Xe | IR | Kohlmiller and Andrews, 1981 | ||
O3 bend | 406 | CO2 | IR | Nelander and Nord, 1977 Kohlmiller and Andrews, 1981 | |||
Additional references: Jacox, 1994, page 422; Jacox, 1998, page 366; Zozom, Gillies, et al., 1987; Gillies, Gillies, et al., 1988
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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 1. Three-membered, four-membered and five-membered rings,
Thermochim. Acta, 1992, 194, 9-46. [all data]
Kohlmiller and Andrews, 1981
Kohlmiller, C.K.; Andrews, L.,
Infrared spectrum of the primary ozonide of ethylene in solid xenon,
J. Am. Chem. Soc., 1981, 103, 10, 2578, https://doi.org/10.1021/ja00400a016
. [all data]
Nelander and Nord, 1977
Nelander, B.; Nord, L.,
Tetrahedron Lett., 1977, 2821. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Zozom, Gillies, et al., 1987
Zozom, J.; Gillies, C.W.; Suenram, R.D.; Lovas, F.J.,
Microwave detection of the primary ozonide of ethylene in the gas phase,
Chem. Phys. Lett., 1987, 140, 1, 64, https://doi.org/10.1016/0009-2614(87)80418-9
. [all data]
Gillies, Gillies, et al., 1988
Gillies, J.Z.; Gillies, C.W.; Suenram, R.D.; Lovas, F.J.,
The ozonolysis of ethylene. Microwave spectrum, molecular structure, and dipole moment of ethylene primary ozonide (1,2,3-trioxolane),
J. Am. Chem. Soc., 1988, 110, 24, 7991, https://doi.org/10.1021/ja00232a007
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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