Phthalimide
- Formula: C8H5NO2
- Molecular weight: 147.1308
- IUPAC Standard InChIKey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
- CAS Registry Number: 85-41-6
- 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: 1H-Isoindole-1,3(2H)-dione; Benzoimide; Isoindole-1,3-dione; 1,2-Benzenedicarboximide; 1,3-Isoindolinedione; 2-Diazoindan-1,3-dione; o-Phthalic imide; 1,3-Isoindoledione; Ftalimmide; Phthalimid; Phenylimide; Phthalic dicarboximide; 1,3-Dihydro-2H-isoindole-1,3-dione; NSC 3108; Isoindol-1,3-dione: Folpet metabolite
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Gas phase ion energetics data
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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
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.015 ± 0.087 | IMRE | Paul and Kebarle, 1989 | ΔGea(423 K) = -25.4±1 kcal/mol, ΔS(est) = -3±3 eu; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.90 | PE | Klasinc, Trinajstic, et al., 1980 | Vertical value; LLK |
9.78 ± 0.05 | PE | Galasso, Colonna, et al., 1977 | Vertical value; LLK |
References
Go To: Top, 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.
Paul and Kebarle, 1989
Paul, G.; Kebarle, P.,
Electron Affinities of Cyclic Unsaturated Dicarbonyls: Maleic Anhydrides, Maleimides, and Cyclopentendione,
J. Am. Chem. Soc., 1989, 111, 2, 464, https://doi.org/10.1021/ja00184a009
. [all data]
Klasinc, Trinajstic, et al., 1980
Klasinc, L.; Trinajstic, N.; Knop, J.V.,
Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. VIII. Thalidomide,
Int. J. Quantum Chem., 1980, 7, 403. [all data]
Galasso, Colonna, et al., 1977
Galasso, V.; Colonna, F.P.; Distefano, G.,
Photoelectron spectra of 1,2-indandione, 1,3-indandione and heterocyclic analogues,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 227. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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