Naphthalene, 1,8-dimethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChIKey: XAABPYINPXYOLM-UHFFFAOYSA-N
- CAS Registry Number: 569-41-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,8-Dimethylnaphthalene
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 108.8 ± 3.0 | kJ/mol | Ccb | Mansson, 1974 | Author was aware that data differs from previously reported values; ALS |
ΔfH°gas | 108.6 | kJ/mol | N/A | Good, 1973 | Value computed using ΔfHsolid° value of 25.9±1.2 kj/mol from Good, 1973 and ΔsubH° value of 82.7 kj/mol from Mansson, 1974.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
40.6 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
69.8 | 100. | ||
98.9 | 150. | ||
128.6 | 200. | ||
173.8 | 273.15 | ||
189.2 | 298.15 | ||
190.3 | 300. | ||
247.9 | 400. | ||
296.2 | 500. | ||
335.5 | 600. | ||
367.4 | 700. | ||
393.9 | 800. | ||
416.1 | 900. | ||
434.9 | 1000. | ||
451. | 1100. | ||
464. | 1200. | ||
476. | 1300. | ||
486. | 1400. | ||
495. | 1500. |
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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.5 | PE | Guttenberger, Bestmann, et al., 1981 | LLK |
8.30 ± 0.05 | EI | Loudon and Mazengo, 1974 | LLK |
7.71 | PE | Guttenberger, Bestmann, et al., 1981 | Vertical value; LLK |
7.64 ± 0.03 | PE | Heilbronner, Hoshi, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C11H9+ | 12.7 ± 0.2 | CH3 | EI | Loudon and Mazengo, 1974 | LLK |
C12H11+ | 13.0 ± 0.2 | H | EI | Loudon and Mazengo, 1974 | LLK |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
UV/Visible spectrum
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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Source | Wolf, 1955 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 3836 |
Instrument | n.i.g. |
Melting point | 65 |
Boiling point | 270 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mansson, 1974
Mansson, M.,
A calorimetric study of peri strain in 1,8-Dimethylnaphthalene and 1,4,5,8-Tetramethylnaphthalene,
Acta Chem. Scand., Ser. B, 1974, 28, 677-680. [all data]
Good, 1973
Good, W.D.,
The enthalpies of combustion and formation of 1,8-dimethylnaphthalene, 2,3-dimethylnaphthalene, 2,6-dimethylnaphthalene, and 2,7-dimethylnaphthalene,
J. Chem. Thermodyn., 1973, 5, 715-720. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Guttenberger, Bestmann, et al., 1981
Guttenberger, H.G.; Bestmann, H.J.; Dickert, F.L.; Jorgensen, F.S.; Snyder, J.P.,
Sulfur-bridged peri-naphthalenes: Synthesis, conformational analysis, and photoelectron spectroscopy of the mono-, di-, and trisulfides of 1,8-diethylnaphthalene,
J. Am. Chem. Soc., 1981, 103, 159. [all data]
Loudon and Mazengo, 1974
Loudon, A.G.; Mazengo, R.Z.,
Steric strain and electron-impact. The behaviour of some n, n'-dimethyl- 1,1-binaphthyls, some n, n'-dimethylbiphenyls and model compounds,
Org. Mass Spectrom., 1974, 8, 179. [all data]
Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K.,
Alkyl-induced, natural hypsochromic shifts of the 2A←2X and 2B←2X transitions of azulene and naphthalene radical cations,
Nouv. J. Chim., 1976, 1, 105. [all data]
Wolf, 1955
Wolf, H.C.,
Fluoreszenz- und Absorptionsspektrum von 1,8-Dimethylnaphthalin,
Z. Naturforsch. A:, 1955, 10, 800-801. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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