1,4-Benzenedicarboxaldehyde
- Formula: C8H6O2
- Molecular weight: 134.1320
- IUPAC Standard InChIKey: KUCOHFSKRZZVRO-UHFFFAOYSA-N
- CAS Registry Number: 623-27-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Terephthaladehyde; p-Benzenedicarboxaldehyde; p-Formylbenzaldehyde; p-Phthalaldehyde; Terephthalaldehyde; Terephthalic aldehyde; 1,4-Diformylbenzene; 4-Formylbenzaldehyde; Terephthaldicarboxaldehyde; Terephthaldialdehyde; Terephthaldehyde; Terephtaldehyde; 1,4-Benzenedialdehyde; 1,4-Benzenedicarbaldehyde; p-Phthaldialdehyde; p-Benzenedialdehyde; NSC 13395
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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 | 519.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | |
Tboil | 518. to 521. | K | N/A | Buckingham and Donaghy, 1982 | |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 389. | K | N/A | Buckingham and Donaghy, 1982 |
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C8H6O2+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.236 ± 0.087 | IMRE | Mishima, Huh, et al., 1993 | ΔGea(343 K)=-29.4 kcal/mol. Reanchored to EA(PhNO2), Kebarle and Chowdhury, 1987.; B |
1.284 ± 0.087 | IMRE | Huh, Kang, et al., 1999 | ΔG(EA) 343K; anchored to ΔG value. Including anchor ΔS, EA is ca. 0.4 kcal/mol more bound.; B |
0.560005 | ECD | Kuhn, Levins, et al., 1968 | Done at constant temperature, accuracy uncertain: Chen and Wentworth, 1989;; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.13 ± 0.01 | EI | Kuhn, Levins, et al., 1968 | RDSH |
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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Mishima, Huh, et al., 1993
Mishima, M.; Huh, C.; Nakamura, H.; Fujio, M.; Tsuno, Y.,
Electron Affinities of Benzaldehydes. Substituent Effects on Stabilities of Aromatic Radical Anions.,
Tetrahed. Lett., 1993, 34, 26, 4223, https://doi.org/10.1016/S0040-4039(00)60533-6
. [all data]
Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S.,
Electron affinities and electron transfer reactions,
Chem. Rev., 1987, 87, 513. [all data]
Huh, Kang, et al., 1999
Huh, C.; Kang, C.H.; Lee, H.W.; Nakamura, H.; Mishima, M.; Tsuno, Y.; Yamataka, H.,
Thermodynamic stabilities and resonance demand of aromatic radical anions in the gas phase,
Bull. Chem. Soc. Japan, 1999, 72, 5, 1083-1091, https://doi.org/10.1246/bcsj.72.1083
. [all data]
Kuhn, Levins, et al., 1968
Kuhn, W.F.; Levins, R.J.; Lilly, A.C., Jr.,
Electron affinities and ionization potentials of phthalate compounds,
J. Chem. Phys., 1968, 49, 5550. [all data]
Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E.,
Experimental Determination of Electron Affinities of Organic Molecules,
Mol. Cryst. Liq. Cryst., 1989, 171, 271. [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 Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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