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Quinoline, 6-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas38.48 ± 0.72kcal/molCcbRibeiro da Silva, Matos, et al., 1995 

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

Quantity Value Units Method Reference Comment
Deltafliquid22.3kcal/molCcbRibeiro da Silva, Matos, et al., 1995 
Quantity Value Units Method Reference Comment
Deltacliquid-1270.2 ± 0.48kcal/molCcbRibeiro da Silva, Matos, et al., 1995 

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

Quantity Value Units Method Reference Comment
Tboil532. ± 8.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus247.15KN/ALanum and Morris, 1969Uncertainty assigned by TRC = 0.3 K; TRC
Tfus305.6KN/AZegalska, 1968Uncertainty assigned by TRC = 0.2 K; TRC
Tfus305.6KN/AMalanowska and Wecsile, 1964Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Deltavap16.2 ± 0.43kcal/molCRibeiro da Silva, Matos, et al., 1995ALS
Deltavap16.2kcal/molN/ARibeiro da Silva, Matos, et al., 1995DRB
Deltavap16.2 ± 0.43kcal/molCRibeiro da Silva, 1995AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
13.4468.AStephenson and Malanowski, 1987Based on data from 453. - 540. 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
459.64 - 539.294.121931802.833-100.703Malanowska and Wecsile, 1964, 2Coefficents calculated by NIST from author's data.

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

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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 Sadtler Research Labs Under US-EPA Contract
State gas

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


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

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, 1998.
NIST MS number 291569

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.


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101140.1343.Dmitrikov and Nabivach, 1995He
CapillaryOV-101160.1358.Dmitrikov and Nabivach, 1995He
CapillaryOV-101140.1343.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101160.1358.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101150.1335.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M140.1995.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M160.2020.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M140.1995.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2020.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M140.1995.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2020.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M150.2016.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-11321.2Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11318.Du, Clery, et al., 200850. m/0.20 mm/0.33 «mu»m, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C
CapillaryHP-51358.Du, Clery, et al., 200850. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax2062.Peng, Yang, et al., 1991Program: not specified

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101230.75Blanco, Blanco, et al., 1989H2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 300. C
CapillarySE-52229.82Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

References

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

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

Ribeiro da Silva, Matos, et al., 1995
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Amaral, L.M.P.F., Thermochemical study of 2-,4-,6-, and 8-methylquinoline, J. Chem. Thermodyn., 1995, 27, 565-574. [all data]

Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C., Physical Properties of Some Sulfur and Nitrogen Compounds, J. Chem. Eng. Data, 1969, 14, 93-8. [all data]

Zegalska, 1968
Zegalska, B., Liquid-Solid Equilibria in Binary Systems Formed by Quinoline, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1968, 16, 335-41. [all data]

Malanowska and Wecsile, 1964
Malanowska, B.; Wecsile, J., Vapour pressures and boiling temperatures of some quinoline bases., Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1964, 12, 239. [all data]

Ribeiro da Silva, 1995
Ribeiro da Silva, M., Thermochemical study of 2-, 4-, 6-, and 8-methylquinoline, The Journal of Chemical Thermodynamics, 1995, 27, 6, 565-574, https://doi.org/10.1006/jcht.1995.0058 . [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]

Malanowska and Wecsile, 1964, 2
Malanowska, B.; Wecsile, J., Vapour Pressures and Boiling Temperatures of Some Quinoline Bases, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1964, 12, 4, 239-241. [all data]

Dmitrikov and Nabivach, 1995
Dmitrikov, V.P.; Nabivach, V.M., Physico-chemical regularities of quinoline bases retention in gas chromatography, Coke Chem. (Engl. Transl.), 1995, 8, 27-34. [all data]

Berlizov, Nabivach, et al., 1987
Berlizov, Yu.S.; Nabivach, V.M.; Mitrikov, V.P., Capillary gas chromatography of alkylquinolines, Zh. Anal. Khim., 1987, 62, 6, 1119-1124. [all data]

Morishita, Morimoto, et al., 1986
Morishita, F.; Morimoto, S.; Kojima, T., Prediction of molecular structures of aza-arenes by retention indices and fluorescence spectra, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 11, 688-692, https://doi.org/10.1002/jhrc.1240091120 . [all data]

Buryan, Macák, et al., 1987
Buryan, P.; Macák, J.; Triska, J.; Vodicka, L.; Berlizov, Yu.S.; Dmitrikov, V.P.; Nabivach, V.M., Kováts retention indices of alkylquinolines on capillary columns, J. Chromatogr., 1987, 391, 89-96, https://doi.org/10.1016/S0021-9673(01)94307-9 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J., Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae), J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Blanco, Blanco, et al., 1989
Blanco, C.G.; Blanco, J.; Bermejo, J.; Guillen, M.D., Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phases, J. Chromatogr., 1989, 465, 3, 378-385, https://doi.org/10.1016/S0021-9673(01)92675-5 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]


Notes

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