9-Anthracenecarboxaldehyde
- Formula: C15H10O
- Molecular weight: 206.2393
- IUPAC Standard InChI: InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
- IUPAC Standard InChIKey: YMNKUHIVVMFOFO-UHFFFAOYSA-N
- CAS Registry Number: 642-31-9
- 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-Anthraldehyde; 9-Anthrylaldehyde; 9-Anthrylcarboxaldehyde; 9-Formylanthracene; Anthracene-9-carboxaldehyde; Anthracene-9-aldehyde; anthracene-9-carbaldehyde
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Phase change data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 100.6 ± 3.9 | 329. to 363. | ME | Goldfarb and Suuberg, 2008 |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 17.61 | 377.2 | Guarini and Sarti-fantoni, 1969 |
Gas phase ion energetics data
Go To: Top, Phase change data, Gas Chromatography, 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 |
|---|---|---|---|
| 1.31 ± 0.10 | TDEq | Heinis, Chowdhury, et al., 1993 | ΔGea(423 K)= -29.0 kcal/mol ΔSea=-2.7; B |
| 1.02 ± 0.13 | ECD | Wentworth and Chen, 1967 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.67 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
| 7.69 ± 0.03 | PI | Potapov, Kardash, et al., 1972 | LLK |
| 7.67 ± 0.03 | PE | Klasinc, Kovac, et al., 1978 | Vertical value; LLK |
Gas Chromatography
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 2094. | Oda, Yasuhara, et al., 1998 | 25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 357.3 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-5 | 356.6 | Kelly, Bartle, et al., 1992 | Column length: 25. m; Column diameter: 0.32 mm; Program: XX C X C/min -> 170 C 40 C/min -> 300 C (5 min); Check the values XX and X (bad xerox copy) |
| Capillary | OV-101 | 368.3 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Goldfarb and Suuberg, 2008
Goldfarb, Jillian L.; Suuberg, Eric M.,
VAPOR PRESSURES AND THERMODYNAMICS OF OXYGEN-CONTAINING POLYCYCLIC AROMATIC HYDROCARBONS MEASURED USING KNUDSEN EFFUSION,
Environ Toxicol Chem, 2008, 27, 6, 1244, https://doi.org/10.1897/07-486.1
. [all data]
Guarini and Sarti-fantoni, 1969
Guarini, G.; Sarti-fantoni, P.,
Calorimetric Study on Some Anthracene Photodimers,
Molecular Crystals, 1969, 6, 3-4, 423-426, https://doi.org/10.1080/15421407008083478
. [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 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]
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]
Oda, Yasuhara, et al., 1998
Oda, J.; Yasuhara, A.; Matsunaga, K.; Saito, Y.,
Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivatives,
Jpn. J. Toxicol. Environ. Health, 1998, 44, 5, 334-351, https://doi.org/10.1248/jhs1956.44.334
. [all data]
Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W.,
Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves,
J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407
. [all data]
Kelly, Bartle, et al., 1992
Kelly, G.W.; Bartle, K.D.; Clifford, A.A.; Robinson, R.E.,
Application of coupled LC-GC to the analysis of the polar fraction of diesel particulate matter,
J. Hi. Res. Chromatogr., 1992, 15, 8, 526-530, https://doi.org/10.1002/jhrc.1240150808
. [all data]
Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H.,
Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
EA Electron affinity ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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