Naphthalene, 2,3-dimethyl-

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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-1.45 ± 0.46kcal/molCcbColomina, Jimenez, et al., 1979ALS
Δfsolid-0.56 ± 0.26kcal/molCcbGood, 1973crystal phase; ALS
Quantity Value Units Method Reference Comment
Δcsolid-1537.05 ± 0.26kcal/molCcbColomina, Jimenez, et al., 1979Corresponding Δfsolid = -1.46 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-1537.95 ± 0.21kcal/molCcbGood, 1973crystal phase; Corresponding Δfsolid = -0.55 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar53.9802cal/mol*KN/AMesserly, Finke, et al., 1988crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
51.4298.Sciesinski, Godlewska, et al., 1989T = 100 to 350 K. Cp value estimated from graph.; DH
51.7366298.15Messerly, Finke, et al., 1988crystaline, I phase; T = 10 to 400 K.; DH

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
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
<0.17 ± 0.13ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.2 eV, anion unbound.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.11CTSSlifkin and Allison, 1967RDSH
8.20 ± 0.05EINounou, 1966RDSH
7.89 ± 0.03PEHeilbronner, Hoshi, et al., 1976Vertical value; LLK

References

Go To: Top, Condensed phase thermochemistry 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.

Colomina, Jimenez, et al., 1979
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of naphthalene derivatives. V. Formation enthalpies of 2,3-dimethylnaphthalene and 2,3-dihydroxynaphthalene, An. Quim., 1979, 75, 620-624. [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]

Messerly, Finke, et al., 1988
Messerly, J.F.; Finke, H.L.; Good, W.D.; Gammon, B.E., Condensed-phase heat capacities and derived thermodynamic properties for 1,4-dimethylbenzene, 1,2-diphenylethane, and 2,3-dimethylnaphthalene, J. Chem. Thermodynam., 1988, 20, 485-501. [all data]

Sciesinski, Godlewska, et al., 1989
Sciesinski, J.; Godlewska, M.; Witko, W., An adiabatic calrimetry study of the polymorphism of 2,3-dimethylnaphthalene, J. Phys.: Condens. Matter, 1989, 1(22), 3545-3550. [all data]

Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G., Electron capture detection of aromatic hydrocarbons, J. Chromatogr. Sci., 1981, 206, 511. [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]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [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]


Notes

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