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Naphthalene, 2,3-dimethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 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
Deltafgas76.1 ± 2.0kJ/molCcbColomina, Jimenez, et al., 1979ALS
Deltafgas79.9kJ/molN/AGood, 1973Value computed using «DELTA»fHsolid° value of -2.3±1.1 kj/mol from Good, 1973 and «DELTA»subH° value of 82.2 kj/mol from Colomina, Jimenez, et al., 1979.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
42.250.Thermodynamics Research Center, 1997p=1 bar. Among all statistically calculated values of S(T) for methyl- and dimethylnaphthalenes [ Thermodynamics Research Center, 1997], only for 2,3-dimethylnaphthalene calculated values are substantially different from experimental ones.; GT
72.7100.
101.7150.
130.4200.
173.3273.15
188.0298.15
189.1300.
244.9400.
292.8500.
332.2600.
364.6700.
391.4800.
414.0900.
433.01000.
449.1100.
463.1200.
475.1300.
485.1400.
494.1500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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-6.1 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1979ALS
Deltafsolid-2.3 ± 1.1kJ/molCcbGood, 1973crystal phase; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6431.0 ± 1.1kJ/molCcbColomina, Jimenez, et al., 1979Corresponding «DELTA»fsolid = -6.09 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6434.78 ± 0.88kJ/molCcbGood, 1973crystal phase; Corresponding «DELTA»fsolid = -2.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar225.853J/mol*KN/AMesserly, Finke, et al., 1988crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
215.298.Sciesinski, Godlewska, et al., 1989T = 100 to 350 K. Cp value estimated from graph.; DH
216.466298.15Messerly, Finke, et al., 1988crystaline, I phase; T = 10 to 400 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil541.15KN/ACooper, Crowne, et al., 1967Uncertainty assigned by TRC = 0.6 K; TRC
Tboil542.4KN/AKruber and Oberkobusch, 1951Uncertainty assigned by TRC = 1.5 K; TRC
Tboil541.KN/ABailey, Bryant, et al., 1947Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus378.KN/AKotula and Rabczuk, 1985Uncertainty assigned by TRC = 2. K; TRC
Tfus378.4KN/ASmith, 1980Uncertainty assigned by TRC = 0.3 K; TRC
Tfus376.15KN/ALuther and Riechel, 1950Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple377.490KN/AMesserly, Finke, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltasub82.2 ± 0.4kJ/molVColomina, Jimenez, et al., 1979ALS
Deltasub82.2kJ/molN/AColomina, Jimenez, et al., 1979DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
60.9 ± 0.7380.N/AMesserly, Finke, et al., 1988AC
60.0393.AStephenson and Malanowski, 1987Based on data from 378. - 408. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
378. - 408.3.768011657.142-106.824Osborn and Douslin, 1975Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
61.10 ± 0.10377.7VMesserly, Finke, et al., 1988, 2ALS
82.8348.AStephenson and Malanowski, 1987Based on data from 333. - 373. K.; AC
82.2 ± 0.4294.MEColomina, Jimenez, et al., 1979, 2Based on data from 287. - 300. K.; AC
79.9 ± 0.3378.3VAihara, 1959crystal phase; ALS
79.9 ± 0.4290.VAihara, 1959, 2Based on data from 278. - 301. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
23.97377.2DSCCheon and Kim, 2007AC
15.9378.N/AAcree, 1991AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
220.crystaline, IVcrystaline, IIISciesinski, Godlewska, et al., 1989DH
275.crystaline, IIIcrystaline, IISciesinski, Godlewska, et al., 1989DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
-0.00058226.000crystaline, IIIcrystaline, IIMesserly, Finke, et al., 1988DH
-0.00108265.000crystaline, IIcrystaline, IMesserly, Finke, et al., 1988DH
19.35329377.496crystaline, IliquidMesserly, Finke, et al., 1988DH
0.104302.crystaline, IIcrystaline, ISciesinski, Godlewska, et al., 1989DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
51.27377.496crystaline, IliquidMesserly, Finke, et al., 1988DH
0.35302.crystaline, IIcrystaline, ISciesinski, Godlewska, et al., 1989DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 118774

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]

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]

Cooper, Crowne, et al., 1967
Cooper, A.R.; Crowne, C.W.P.; Farrell, P.G., Gas-Liquid Chromatographic Studies of Electron-Donor-Acceptor Systems, Trans. Faraday Soc., 1967, 63, 447. [all data]

Kruber and Oberkobusch, 1951
Kruber, O.; Oberkobusch, R., Chem. Ber., 1951, 84, 826. [all data]

Bailey, Bryant, et al., 1947
Bailey; Bryant; Hancock; Morrell; Smith, J.O., The ten dimethylnaphthalenes, their physical properties, molecular compounds, and ultra-violet spectra, J. Inst. Pet., 1947, 33, 503. [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]

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]

Messerly, Finke, et al., 1988, 2
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. Thermodyn., 1988, 20, 485. [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
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]

Colomina, Jimenez, et al., 1979, 2
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., An. Quim., 1979, 75, 620. [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References