1-Naphthalenecarboxaldehyde
- Formula: C11H8O
- Molecular weight: 156.1806
- IUPAC Standard InChI: InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
- IUPAC Standard InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N
- CAS Registry Number: 66-77-3
- 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: 1-Naphthaldehyde; α-Naphthaldehyde; α-Naphthylaldehyde; α-Naphthylcarboxaldehyde; 1-Formylnaphthalene; 1-Naphthylaldehyde; α-Naphthal; Naphthalene-1-carbaldehyde; NSC 6106; Naphthalene-1-carboxaldehyde
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Phase change 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 565.2 | K | N/A | Weast and Grasselli, 1989 |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 433.2 | 0.020 | Weast and Grasselli, 1989 |
Gas phase ion energetics data
Go To: Top, Phase change 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 |
|---|---|---|---|
| 0.68 ± 0.10 | TDEq | Heinis, Chowdhury, et al., 1993 | ΔGea(423 K)= -17.8 kcal/mol ΔSea=+3.7; B |
| 0.681 ± 0.022 | ECD | Wentworth, Kao, et al., 1975 | B |
| 0.745 ± 0.069 | ECD | Wentworth and Chen, 1967 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.33 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
| 8.43 ± 0.03 | PI | Potapov, Kardash, et al., 1972 | LLK |
References
Go To: Top, Phase change 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Wentworth, Kao, et al., 1975
Wentworth, W.E.; Kao, L.W.; Becker, R.S.,
Electron affinities of substituted aromatic compounds,
J. Phys. Chem., 1975, 79, 1161. [all data]
Wentworth and Chen, 1967
Wentworth, W.E.; Chen, E.,
Experimental Determination of the Electron Affinity of Several Aromatic Aldehydes and Ketones,
J. Phys. Chem., 1967, 71, 6, 1929, https://doi.org/10.1021/j100865a063
. [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]
Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I.,
Photoionization of heteroaromatic compounds,
Khim. Vys. Energ., 1972, 6, 392. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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