formaldehyde oxime
- Formula: CH3NO
- Molecular weight: 45.0406
- IUPAC Standard InChIKey: SQDFHQJTAWCFIB-UHFFFAOYSA-N
- CAS Registry Number: 75-17-2
- 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: John E. Bartmess
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
CH2NO- + =
By formula: CH2NO- + H+ = CH3NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <372.20 | kcal/mol | Acid | DiDomenico and Franklin, 1972 | gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol |
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to CH3NO+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.11 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.11 | PE | Dognon, Pouchan, et al., 1984 | LBLHLM |
10.1 | PE | Frost, Lau, et al., 1982 | LBLHLM |
10.61 | PE | Dognon, Pouchan, et al., 1984 | Vertical value; LBLHLM |
10.59 ± 0.02 | PE | Frost, Lau, et al., 1982 | Vertical value; LBLHLM |
10.62 | PE | Dargelos and Sandorfy, 1977 | Vertical value; LLK |
De-protonation reactions
CH2NO- + =
By formula: CH2NO- + H+ = CH3NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <372.20 | kcal/mol | Acid | DiDomenico and Franklin, 1972 | gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol; 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.
DiDomenico and Franklin, 1972
DiDomenico, A.; Franklin, J.L.,
Negative ions in the mass spectrum of nitromethane,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 171. [all data]
Dognon, Pouchan, et al., 1984
Dognon, J.P.; Pouchan, C.; Dargelos, A.; Flament, J.P.,
Ab initio CI study and vibronic analysis of the photoelectron spectra of formaldoxime,
Chem. Phys. Lett., 1984, 109, 492. [all data]
Frost, Lau, et al., 1982
Frost, D.C.; Lau, W.M.; McDowell, C.A.; Westwood, N.P.C.,
A study by He I photoelectron spectroscopy of monomeric nitrosomethane, the cis and trans dimers, and formaldoxime,
J. Phys. Chem., 1982, 86, 3577. [all data]
Dargelos and Sandorfy, 1977
Dargelos, A.; Sandorfy, C.,
The photoelectron and far-ultraviolet absorption spectra of simple oximes,
J. Chem. Phys., 1977, 67, 3011. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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