Ethoxy radical
- Formula: C2H5O
- Molecular weight: 45.0605
- IUPAC Standard InChIKey: VOLGAXAGEUPBDM-UHFFFAOYSA-N
- CAS Registry Number: 2154-50-9
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C2H5NO2 = NO + C2H5O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 158. | kJ/mol | Kin | Rebbert and Laidler, 1952 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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 as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H5O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.11 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
Anion protonation reactions
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1587. ± 4.2 | kJ/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 1582. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 1579. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1586.2 ± 0.42 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1559. ± 4.6 | kJ/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrG° | 1554. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 1551. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Vibrational and/or electronic energy levels
Go To: Top, Reaction 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 by: Marilyn E. Jacox
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 29210.207 ± 0.006 | gas | B-X | 310 | 500 | Style and Ward, 1953 | ||
Ohbayashi, Akimoto, et al., 1977 | |||||||
Inoue, Okuda, et al., 1981 | |||||||
Ebata, Yanagishita, et al., 1982 | |||||||
Foster, Hsu, et al., 1986 | |||||||
Tan, Williamson, et al., 1993 | |||||||
Gopalakrishnan, Zu, et al., 2003 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | CO stretch | 603 | gas | LF | Foster, Hsu, et al., 1986 Tan, Williamson, et al., 1993 Gopalakrishnan, Zu, et al., 2003 | ||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 355 ± 10 | gas | Ramond, Davico, et al., 2000, 2 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 685 | T | gas | PE | Ramond, Davico, et al., 2000, 2 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | CH2 wag | 1370 | gas | LF | Inoue, Okuda, et al., 1981 | ||
CH2 scissors | 1295 ± 10 | gas | PE | Ramond, Davico, et al., 2000, 2 | |||
C-O stretch | 1067 | gas | LF EM | Inoue, Okuda, et al., 1981 Ebata, Yanagishita, et al., 1982 Foster, Hsu, et al., 1986 | |||
C-C stretch | 875 | T | gas | LF | Inoue, Okuda, et al., 1981 | ||
CCO bend | 442 | gas | LF | Inoue, Okuda, et al., 1981 | |||
Additional references: Jacox, 1994, page 376; Jacox, 1998, page 337; Jacox, 2003, page 353
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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.
Rebbert and Laidler, 1952
Rebbert, R.E.; Laidler, K.J.,
Kinetics of the decomposition of diethyl peroxide,
J. Chem. Phys., 1952, 20, 574-577. [all data]
Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
J. Chem. Phys., 1968, 49, 4467. [all data]
Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767
. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M.,
Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols,
J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m
. [all data]
Style and Ward, 1953
Style, D.W.G.; Ward, J.C.,
Fluorescent spectra from ethyl nitrate. Part 1.?Supposed emissions from alkoxy radicals and NO2,
Trans. Faraday Soc., 1953, 49, 999, https://doi.org/10.1039/tf9534900999
. [all data]
Ohbayashi, Akimoto, et al., 1977
Ohbayashi, K.; Akimoto, H.; Tanaka, I.,
Emission spectra of methoxyl, ethoxyl, and isopropoxyl radicals,
J. Phys. Chem., 1977, 81, 8, 798, https://doi.org/10.1021/j100523a023
. [all data]
Inoue, Okuda, et al., 1981
Inoue, G.; Okuda, M.; Akimoto, H.,
Laser-induced fluorescence of the C2H5O radical,
J. Chem. Phys., 1981, 75, 5, 2060, https://doi.org/10.1063/1.442325
. [all data]
Ebata, Yanagishita, et al., 1982
Ebata, T.; Yanagishita, H.; Obi, K.; Tanaka, I.,
Ã→X fluorescence spectra of CH3O and C2H5O generated by the Arf laser photolysis of alkyl nitrites,
Chem. Phys., 1982, 69, 1-2, 27, https://doi.org/10.1016/0301-0104(82)88129-9
. [all data]
Foster, Hsu, et al., 1986
Foster, S.C.; Hsu, Y.-C.; Damo, C.P.; Liu, X.; Kung, C.-Y.; Miller, T.A.,
Implications of the rotationally resolved spectra of the alkoxy radicals for their electronic structure,
J. Phys. Chem., 1986, 90, 26, 6766, https://doi.org/10.1021/j100284a011
. [all data]
Tan, Williamson, et al., 1993
Tan, X.Q.; Williamson, J.M.; Foster, S.C.; Miller, T.A.,
Rotationally resolved electronic excitation spectra of the ethoxy ~B .rarw. ~X transition,
J. Phys. Chem., 1993, 97, 37, 9311, https://doi.org/10.1021/j100139a010
. [all data]
Gopalakrishnan, Zu, et al., 2003
Gopalakrishnan, S.; Zu, L.; Miller, T.A.,
Radiative and non-radiative decay of selected vibronic levels of the state of alkoxy radicals,
Chem. Phys. Lett., 2003, 380, 5-6, 749, https://doi.org/10.1016/j.cplett.2003.08.124
. [all data]
Ramond, Davico, et al., 2000, 2
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158, https://doi.org/10.1063/1.480767
. [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]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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