Ethoxy radical
- Formula: C2H5O
- Molecular weight: 45.0605
- IUPAC Standard InChI: InChI=1S/C2H5O/c1-2-3/h2H2,1H3
- 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, 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° | 37.7 | kcal/mol | Kin | Rebbert and Laidler, 1952 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction 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:
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° | 379.2 ± 1.0 | kcal/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
| ΔrH° | 378.0 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
| ΔrH° | 377.4 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
| ΔrH° | 379.10 ± 0.10 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 372.6 ± 1.1 | kcal/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
| ΔrG° | 371.4 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
| ΔrG° | 370.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
References
Go To: Top, Reaction 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.
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]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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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