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Naphthalene, 2,6-dimethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.950.Thermodynamics Research Center, 1997p=1 bar.
18.3100.
23.7150.
29.76200.
39.70273.15
43.21298.15
43.48300.
57.10400.
68.86500.
78.51600.
86.42700.
92.97800.
98.45900.
103.11000.
107.1100.
110.1200.
113.1300.
116.1400.
118.1500.

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
Deltafsolid-1.37 ± 0.40kcal/molCcbGood, 1973crystal phase; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1537.14 ± 0.38kcal/molCcbGood, 1973crystal phase; Corresponding «DELTA»fsolid = -1.36 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar54.460cal/mol*KN/AFinke, Messerly, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
48.650298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
48.40298.15Good, 1973DH

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
AC - William E. Acree, Jr., James S. Chickos
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
Tboil536. ± 6.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus387.4KN/AKotula and Rabczuk, 1985Uncertainty assigned by TRC = 2. K; TRC
Tfus383.27KN/ASzafranski, 1984Uncertainty assigned by TRC = 0.1 K; TRC
Tfus383.9KN/ASmith, 1980Uncertainty assigned by TRC = 0.2 K; TRC
Tfus384.15KN/ALuther and Riechel, 1950Uncertainty assigned by TRC = 0.5 K; TRC
Tfus336.KN/ALinstead, Millidge, et al., 1937Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Ttriple383.31KN/AFinke, Messerly, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple383.31KN/AOsborn and Douslin, 1975Uncertainty assigned by TRC = 0.03 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
13.7399.AStephenson and Malanowski, 1987Based on data from 384. - 418. K. See also Osborn and Douslin, 1975, 2 and Boublik, Fried, et al., 1984.; AC
13.7383.IPFinke, Messerly, et al., 1977Based on data from 384. - 418. K.; AC
13.5400.IPFinke, Messerly, et al., 1977Based on data from 384. - 418. K.; AC
13.3420.IPFinke, Messerly, et al., 1977Based on data from 384. - 418. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
384. - 418.3.142601302.791-135.652Osborn and Douslin, 1975, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.2 ± 0.45366.N/AFinke, Messerly, et al., 1977Based on data from 350. - 383. K. See also Osborn and Douslin, 1975, 2 and Stephenson and Malanowski, 1987.; AC
19.7383.BOsborn and Douslin, 1975, 2AC
20.07 ± 0.09379.2VAihara, 1959crystal phase; ALS
20.1291.VAihara, 1959, 2Based on data from 279. - 304. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
5.98870383.32N/AFinke, Messerly, et al., 1977DH
6.05385.2DSCCheon and Kim, 2007AC
5.989383.3N/AAcree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
15.62383.32Finke, Messerly, et al., 1977DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.82 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

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 by: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
<0.160 ± 0.074ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.1 eV, anion unbound.

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 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, 1990.
NIST MS number 118792

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Huisgen and Juppe, 1961
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. 328
Instrument n.i.g.
Melting point 112
Boiling point 262

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [all data]

Kotula and Rabczuk, 1985
Kotula, I.; Rabczuk, A., DTA Investigation of the Solid-Liquid Equilibrium for Mehtyl Derivatives of Naphthalene with Some Nitroaromatics, J. Therm. Anal., 1985, 30, 195. [all data]

Szafranski, 1984
Szafranski, A.M., Solid-Liquid Equilibrium, Int. DATA Ser., Sel. Data Mixtures, Ser. A, 1984, No. 1, 40-50. [all data]

Smith, 1980
Smith, G.W., Phase behavior of some condensed polycyclic aromatics, Mol. Cryst. Liq. Cryst., 1980, 64, 15. [all data]

Luther and Riechel, 1950
Luther, H.; Riechel, C., The Raman Spectra of Polymethylnphthalenes, Z. Phys. Chem. (Leipzig), 1950, 195, 103. [all data]

Linstead, Millidge, et al., 1937
Linstead; Millidge; Walpole, J. Chem. Soc., 1937, 1937, 1140. [all data]

Finke, Messerly, et al., 1977, 2
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937. [all data]

Osborn and Douslin, 1975
Osborn, A.G.; Douslin, D.R., Vapor Pressure and Derived Enthalpies of Vaporization for Some Condensed Ring Hydrocarbons, J. Chem. Eng. Data, 1975, 20, 229-31. [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]

Osborn and Douslin, 1975, 2
Osborn, Ann G.; Douslin, Donald R., Vapor pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons, J. Chem. Eng. Data, 1975, 20, 3, 229-231, https://doi.org/10.1021/je60066a022 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Aihara, 1959
Aihara, A., Estimation of the energy of hydrogen bonds formed in crystals. I. Sublimation pressures of some organic molecular crystals and the additivity of lattice energy, Bull. Chem. Soc. Jpn., 1959, 32, 1242. [all data]

Aihara, 1959, 2
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. I. Sublimation Pressures of Some Organic Molecular Crystals and the Additivity of Lattice Energy, Bull. Chem. Soc. Jpn., 1959, 32, 11, 1242-1248, https://doi.org/10.1246/bcsj.32.1242 . [all data]

Cheon and Kim, 2007
Cheon, Yang-Ho; Kim, Kwang-Joo, Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers, J. Chem. Eng. Data, 2007, 52, 4, 1390-1393, https://doi.org/10.1021/je700088n . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]

Huisgen and Juppe, 1961
Huisgen, R.; Juppe, G., Die reaktion von 2.6-dimethylnaphthalin mit diazoessigester, Tetrahedron, 1961, 15, 7-17. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References