1,4-Naphthalenedione, 2-hydroxy-
- Formula: C10H6O3
- Molecular weight: 174.1528
- IUPAC Standard InChI: InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
- IUPAC Standard InChIKey: CSFWPUWCSPOLJW-UHFFFAOYSA-N
- CAS Registry Number: 83-72-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Henna; 1,4-Naphthoquinone, 2-hydroxy-; C.I. Natural Orange 6; C.I. 75480; Flower of Paradise; Hana; Lawson; Lawsone; Mehendi; Mendi; 2-Hydroxy-1,4-naphthoquinone; 2-Hydroxynaphthoquinone; 2-Hydroxy-1,4-naphthalenedione; NSC 27285; NSC 8625; 2-Hydroxynaphthalene-1,4-dione
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.2 | PE | Millefiori, Gulino, et al., 1990 | LL |
| 9.60 | PE | Millefiori, Gulino, et al., 1990 | Vertical value; LL |
| 9.5 ± 0.1 | PE | Redchenko, Freimanis, et al., 1980 | Vertical value; LLK |
IR Spectrum
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Millefiori, Gulino, et al., 1990
Millefiori, S.; Gulino, A.; Casarin, M.,
UV Photoelectron spectra, reduction potentials and MO calculations of intramolecularly hydrogen-bonded naphtoquinones,
J. Chim. Phys., 1990, 87, 317. [all data]
Redchenko, Freimanis, et al., 1980
Redchenko, V.V.; Freimanis, Y.F.; Dregeris, Y.Y.,
Photoelectron Spectroscopy of 2,3-Disubtituted naphthoquinones,
J. Gen. Chem. USSR, 1980, 50, 1507, In original 1847. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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