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Naphthalene, 1,2,3,4-tetrahydro-

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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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas30.0kJ/molN/AGood and Lee, 1976Value computed using «DELTA»fHliquid° value of -28.6±1.0 kj/mol from Good and Lee, 1976 and «DELTA»vapH° value of 58.6 kj/mol from Boyd, Sanwal, et al., 1971.; DRB
Deltafgas26.0 ± 2.0kJ/molCcbBoyd, Sanwal, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 22.1 ± 3.4 kJ/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
39.5150.Dorofeeva O.V., 1988Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994]. Values of S(298.15 K)=368.6 and Cp(298.15 K)=146.6 J/mol*K were calculated using molecular constants estimated by molecular mechanics [ Boyd R.H., 1971]. Discrepancies with semiempirical calculation [ Szekely, 1955] amount to 14 and 6 J/mol*K for S and Cp at 298.15 K. Cp(298.15 K) calculated by semiempirical calculation [ Vvedenskii A.A., 1957] agrees well with value recommended here.; GT
55.34100.
75.22150.
98.28200.
136.97273.15
150.9 ± 2.0298.15
151.98300.
206.65400.
254.31500.
293.63600.
325.91700.
352.66800.
375.08900.
394.001000.
410.071100.
423.771200.
435.511300.
445.601400.
454.311500.

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
Deltafliquid-28.6 ± 1.0kJ/molCcbGood and Lee, 1976ALS
Deltafliquid-32.6 ± 2.2kJ/molCcbBoyd, Sanwal, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -33.1 ± 2.1 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5621.54 ± 0.88kJ/molCcbGood and Lee, 1976Corresponding «DELTA»fliquid = -28.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5617.5 ± 2.1kJ/molCcbBoyd, Sanwal, et al., 1971Corresponding «DELTA»fliquid = -32.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5598.6kJ/molCcbKaro, McLaughlin, et al., 1953Corrected from net heat of combustion; Corresponding «DELTA»fliquid = -51.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5581.9kJ/molCcbHock and Knauel, 1951Corresponding «DELTA»fliquid = -68.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid251.46J/mol*KN/AMcCullough, Finke, et al., 1957DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
217.44298.15McCullough, Finke, et al., 1957T = 10 to 320 K.; DH

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + Naphthalene = Naphthalene, 1,2,3,4-tetrahydro-

By formula: 2H2 + C10H8 = C10H12

Quantity Value Units Method Reference Comment
Deltar-125.kJ/molEqkFrye and Weitkamp, 1969gas phase
Deltar-120.5 ± 5.0kJ/molEqkWilson, Caflisch, et al., 1958gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -133.9 ± 5.0 kJ/mol; At 400 K

Hydrogen + Naphthalene, 1,2-dihydro- = Naphthalene, 1,2,3,4-tetrahydro-

By formula: H2 + C10H10 = C10H12

Quantity Value Units Method Reference Comment
Deltar-100.83 ± 0.83kJ/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

Hydrogen + 1,4-Dihydronaphthalene = Naphthalene, 1,2,3,4-tetrahydro-

By formula: H2 + C10H10 = C10H12

Quantity Value Units Method Reference Comment
Deltar-113.5 ± 0.4kJ/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Good and Lee, 1976
Good, W.D.; Lee, S.H., The enthalpies of formation of selected naphthalenes, diphenylmethanes, and bicyclic hydrocarbons, J. Chem. Thermodyn., 1976, 8, 643-650. [all data]

Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1264-1271. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1986, 102, 59-66. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Boyd R.H., 1971
Boyd R.H., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1264-1271. [all data]

Szekely, 1955
Szekely, A., Semiempirical method for calculating thermodynamic properties. The thermodynamic data of 1,2,3,4-tetrahydronaphthalene, Acta Chim. Acad. Sci. Hung., 1955, 5, 317-339. [all data]

Vvedenskii A.A., 1957
Vvedenskii A.A., Reaction equilibrium of hydrocarbons. X. Heat capacity of naphthalene, tetrahydronaphthalene, and decahydronaphthalene, Zh. Obshch. Khim., 1957, 27, 2052-2054. [all data]

Karo, McLaughlin, et al., 1953
Karo, W.; McLaughlin, R.L.; Hipsher, H.F., Dicyclic hydrocarbons. VI. 1,2,3,4-Tetrahydronaphthalene and 1-alkyl-1,2,3,4-tetrahydronaphthalenes, J. Am. Chem. Soc., 1953, 75, 3233-3235. [all data]

Hock and Knauel, 1951
Hock, I.H.; Knauel, G., Autoxydation von kohlenwasserstoffen, XIV. Mitteil. Uber die energetische stellung organischer hydroperoxyde, Chem. Ber., 1951, 84, 1-5. [all data]

McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Messerly, J.F.; Kincheloe, T.C.; Waddington, G., The low temperature thermodynamic properties of naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, 1,2,3,4-tetrahydronaphthalene, trans-decahydronaphthalene and cis-decahydronaphthalene, J. Phys. Chem., 1957, 61, 1105-1116. [all data]

Frye and Weitkamp, 1969
Frye, C.G.; Weitkamp, A.W., Equilibrium hydrogenations of multi-ring aromatics, J. Chem. Eng. Data, 1969, 14, 372-376. [all data]

Wilson, Caflisch, et al., 1958
Wilson, T.P.; Caflisch, E.G.; Hurley, G.F., The naphthalene-tetralin-hydrogen equilibrium at elevated temperature and pressure, J. Phys. Chem., 1958, 62, 1059. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Williams, 1942
Williams, R.B., Heats of catalytic hydrogenation in solution. I. Apparatus, technique, and the heats of hydrogenation of certain pairs of stereoisomers, J. Am. Chem. Soc., 1942, 64, 1395-1404. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References