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Quinoline, 4-methyl-

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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
Deltafgas162.1 ± 3.2kJ/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
Deltafliquid94.5 ± 2.6kJ/molCcbRibeiro da Silva, Matos, et al., 1995 
Quantity Value Units Method Reference Comment
Deltacliquid-5315.9 ± 2.4kJ/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
Tboil535. ± 6.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus282.7KN/AZegalska, 1968Uncertainty assigned by TRC = 0.2 K; TRC
Tfus282.KN/ACampbell and Schaffner, 1945Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap67.6 ± 1.8kJ/molCRibeiro da Silva, Matos, et al., 1995ALS
Deltavap67.6kJ/molN/ARibeiro da Silva, Matos, et al., 1995DRB
Deltavap67.6 ± 1.8kJ/molCRibeiro da Silva, 1995AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
58.2478.A,EBStephenson and Malanowski, 1987Based on data from 463. - 539. K. See also Malanowski, 1961 and Malanowski, 1961, 2.; 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
471.73 - 538.974.313941877.712-102.915Malanowski, 1961, 3Coefficents 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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-3763
NIST MS number 228762

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

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Bol'shakov, et al., 1969
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. 20191
Instrument unknown
Melting point 9.5
Boiling point 262

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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-101140.1357.Dmitrikov and Nabivach, 1995He
CapillaryOV-101160.1376.Dmitrikov and Nabivach, 1995He
CapillaryOV-101140.1357.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101160.1376.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101150.1357.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
CapillaryCarbowax 20M180.2098.Tudor, Moldovan, et al., 1999Phase thickness: 0.45 «mu»m
CapillaryPEG-20M140.2037.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M160.2065.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M140.2037.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2065.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M140.2037.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2065.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M150.2066.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
CapillaryBPX-51399.Dickschat, Wenzel, et al., 200425. m/0.22 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 300. C
CapillaryDB-51384.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11347.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-51383.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
CapillaryBPX51396.Dickschat, Bode, et al., 200525. m/0.22 mm/0.25 «mu»m, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C
CapillaryBPX-51398.Dickschat, Martens, et al., 200525. m/0.22 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 320. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax2080.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax2108.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-101235.54Blanco, Blanco, et al., 1989H2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-5236.61Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52235.77Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 «mu»m, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C

References

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

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]

Campbell and Schaffner, 1945
Campbell, K.N.; Schaffner, I.J., The Preparation of 4-Methylquinolines, J. Am. Chem. Soc., 1945, 67, 86. [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]

Malanowski, 1961
Malanowski, S., Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1961, 9, 83. [all data]

Malanowski, 1961, 2
Malanowski, S., Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1961, 9, 71. [all data]

Malanowski, 1961, 3
Malanowski, S., Vapour Pressures and Boiling Temperatures of Some Quinoline Bases, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1961, 9, 2, 71-76. [all data]

Bol'shakov, et al., 1969
Bol'shakov, G.F., et al., Ultraviolet spectra of heteroorganic compounds, 1969, 192. [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]

Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 1999, 44, 7, 665-675. [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]

Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S., Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus, ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [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]

Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S., Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca, ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174 . [all data]

Dickschat, Martens, et al., 2005
Dickschat, J.S.; Martens, T.; Brinkhoff, T.; Simon, M.; Schulz, S., Volatiles released by a Streptomyces species isolated from the North Sea, Chemistry and Biodiversity, 2005, 2, 7, 837-865, https://doi.org/10.1002/cbdv.200590062 . [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]

Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1 . [all data]


Notes

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