Benzo[f]quinoline
- Formula: C13H9N
- Molecular weight: 179.2173
- IUPAC Standard InChIKey: HCAUQPZEWLULFJ-UHFFFAOYSA-N
- CAS Registry Number: 85-02-9
- 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: β-Naphthoquinoline; 1-Azaphenanthrene; 5,6-Benzoquinoline; b-Naphthoquinoline; 5,6-Benzo[f]quinoline
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 55.9 ± 1.8 | kcal/mol | Ccb | McEachern, Iniguez, et al., 1975 |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 367. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 364.8 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 19.9 ± 1.5 | kcal/mol | V | McEachern, Iniguez, et al., 1975 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
623.2 | 0.949 | Weast and Grasselli, 1989 | BS |
623. | 0.949 | Buckingham and Donaghy, 1982 | BS |
483. to 488. | 0.029 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.9 ± 0.86 | 308. | ME | McEachern, Iniguez, et al., 1975 | Based on data from 288. to 323. K. See also Stephenson and Malanowski, 1987.; AC |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C13H9N+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.14 | PE | Hush, Cheung, et al., 1975 | LLK |
8.4 ± 0.1 | CTS | Farrell and Newton, 1966 | RDSH |
8.14 ± 0.02 | PE | Hush, Cheung, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, 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.
McEachern, Iniguez, et al., 1975
McEachern, D.M.; Iniguez, J.C.; Ornelas, H.C.,
Enthalpies of combustion and sublimation and vapor pressures of three benzoquinolines,
J. Chem. Eng. Data, 1975, 20, 226-228. [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]
Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W.,
Study of Organic Scintillators,
J. Chem. Phys., 1956, 24, 670. [all data]
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R.,
Binding energies of π- and "lone pair"-levels in mono- and diaza-phenanthrenes and anthracenes: an He(I) photoelectron spectroscopic study,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 385. [all data]
Farrell and Newton, 1966
Farrell, P.G.; Newton, J.,
Ionization potentials of primary aromatic amines and aza-hydrocarbons,
Tetrahedron Lett., 1966, 5517. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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