Quinoline, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas82.0 ± 0.8kJ/molCcrSteele, Chirico, et al., 1989 

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
Δfliquid16.7 ± 0.8kJ/molCcrSteele, Chirico, et al., 1989ALS
Quantity Value Units Method Reference Comment
Δcliquid-5130.34 ± 0.66kJ/molCcrSteele, Chirico, et al., 1989ALS
Quantity Value Units Method Reference Comment
liquid240.36J/mol*KN/ASteele, Chirico, et al., 1989, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
236.04298.15Steele, Chirico, et al., 1989, 2T = 10 to 440 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil522.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil524.KN/APerkin, 1896Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple289.910KN/ASteele, Chirico, et al., 1989, 3Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δvap65.33kJ/molVSteele, Chirico, et al., 1989ALS
Δvap65.3kJ/molN/ASteele, Chirico, et al., 1989DRB
Δvap65.3 ± 0.2kJ/molIP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
62.1 ± 0.1340.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC
59.2 ± 0.1380.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC
56.3 ± 0.1420.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC
53.5 ± 0.2460.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC
50.8 ± 0.3500.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC
47.9 ± 0.4540.IP,EBSteele, Chirico, et al., 1989Based on data from 323. to 572. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.81290.Acree, 1991AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
61.7crystaline, IVcrystaline, IIISteele, Chirico, et al., 1989, 2DH
114.75crystaline, IIIcrystaline, IISteele, Chirico, et al., 1989, 2DH
231.8crystaline, IIcrystaline, ISteele, Chirico, et al., 1989, 2DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
11.813289.913crystaline, IliquidSteele, Chirico, et al., 1989, 2DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
40.75289.913crystaline, IliquidSteele, Chirico, et al., 1989, 2DH

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:


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

Ionization energy determinations

IE (eV) Method Reference Comment
7.00 ± 0.02PEMaier and Turner, 1973LLK
7.61EILoudon, Maccoll, et al., 1970RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E., The thermodynamic properties of 1,2,3,4- and 5,6,7,8-tetrahydroquinolines, J. Chem. Thermodyn., 1989, 21, 1121-1149. [all data]

Steele, Chirico, et al., 1989, 2
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E., The thermodynamic properties of the five benzoquinolines, J. Chem. Thermodyn., 1989, 21, 81-107. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Steele, Chirico, et al., 1989, 3
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E., The thermodynamic properties of 1,2,3,4- and 5,6,7,8-tetrahydroquinolines, J. Chem. Thermodyn., 1989, 21, 1121. [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]

Maier and Turner, 1973
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy Part 3. Anilines, Phenols and Related Compounds, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 521. [all data]

Loudon, Maccoll, et al., 1970
Loudon, A.G.; Maccoll, A.; Wong, S.K., Comparison between unimolecular gas phase pyrolysis and electron impact fragmentation. Part I. The mass spectra of tetralin and some related heterocycles, J. Chem. Soc. B, 1970, 1727. [all data]


Notes

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