9-Anthracenecarbonitrile
- Formula: C15H9N
- Molecular weight: 203.2387
- IUPAC Standard InChI: InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
- IUPAC Standard InChIKey: KEQZHLAEKAVZLY-UHFFFAOYSA-N
- CAS Registry Number: 1210-12-4
- 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: 9-Anthronitrile; 9-Cyanoanthracene; Anthracene-9-carbonitrile
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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
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Individual Reactions
C30H18N2 = 2
By formula: C30H18N2 = 2C15H9N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20. | kcal/mol | Cm | Guarini and Sarti-Fantoni, 1970 | solid 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:
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
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.27 ± 0.10 | TDEq | Heinis, Chowdhury, et al., 1993 | ΔGea(423 K)= -28.2 kcal/mol ΔSea=-1.6; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.80 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
| 7.80 ± 0.03 | PE | Klasinc, Kovac, et al., 1978 | Vertical value; LLK |
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.
Guarini and Sarti-Fantoni, 1970
Guarini, G.; Sarti-Fantoni, P.,
Calorimetric study on some anthracene photodimers,
Mol. Cryst. Liq. Cryst., 1970, 6, 423-426. [all data]
Heinis, Chowdhury, et al., 1993
Heinis, T.; Chowdhury, S.; Kebarle, P.,
Electron Affinities of Naphthalene, Anthracene and Substituted Naphthalenes and Anthracenes,
Org. Mass Spectrom., 1993, 28, 4, 358, https://doi.org/10.1002/oms.1210280416
. [all data]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [all data]
Klasinc, Kovac, et al., 1978
Klasinc, L.; Kovac, B.; Schoof, S.; Gusten, H.,
Photoelectron spectroscopy of 9-substituted anthracenes,
Croat. Chem. Acta., 1978, 51, 307. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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