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Quinoline, 2,6-dimethyl-

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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
Deltafgas28.90 ± 0.69kcal/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
Deltafsolid8.70 ± 0.69kcal/molCcbRibeiro da Silva, Matos, et al., 1995 
Quantity Value Units Method Reference Comment
Deltacsolid-1419.0 ± 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil539.7KN/AWeast and Grasselli, 1989BS
Tboil538.55KN/AMalanowska and Wecsile, 1964Uncertainty assigned by TRC = 0.06 K; TRC
Tboil539.15KN/ALe Fevre and Le Fevre, 1935Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus332. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap16.0 ± 0.05kcal/molIP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
Quantity Value Units Method Reference Comment
Deltasub20.2 ± 0.36kcal/molVRibeiro da Silva, Matos, et al., 1995ALS
Deltasub20.2kcal/molN/ARibeiro da Silva, Matos, et al., 1995DRB
Deltasub20.2 ± 0.36kcal/molCRibeiro da Silva, 1995AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.3 ± 0.02340.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
14.6 ± 0.02380.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
14.0 ± 0.02420.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
13.3 ± 0.02460.IPEBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
12.7 ± 0.02500.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
12.0 ± 0.05540.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
11.2 ± 0.1580.IP,EBChirico, Johnson, et al., 2007Based on data from 337. - 591. K.; AC
13.3476.AStephenson and Malanowski, 1987Based on data from 461. - 541. 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
461.61 - 539.444.033941735.613-108.278Malanowska and Wecsile, 1964, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
4.88330.8AC,DSCChirico, Johnson, et al., 2007AC

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP.
Source reference COBLENTZ NO. 6451
Date Not specified, most likely prior to 1970
Name(s) 2,6-dimethylquinoline
State SOLUTION (CCl4 FOR 2-10.1, CS2 FOR 10.1-16 MICRON)
Instrument BAIRD (PRISM)
Instrument parameters NaCl PRISM
Path length 0.010 CM, 0.010 CM
SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 1700 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY
Melting point 57.5 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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-3208
NIST MS number 227668

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 Ono, et al., 1986
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. 16997
Instrument Hitachi 139
Melting point 266.5
Boiling point 60

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-101140.1397.Dmitrikov and Nabivach, 1995He
CapillaryOV-101160.1414.Dmitrikov and Nabivach, 1995He
CapillaryOV-101140.1397.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101160.1414.Berlizov, Nabivach, et al., 1987N2; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-101150.1399.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-20M140.2019.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M160.2044.Dmitrikov and Nabivach, 1995He
CapillaryPEG-20M140.2019.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2044.Berlizov, Nabivach, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M140.2019.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M160.2044.Buryan, Macák, et al., 1987N2; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPEG-20M150.2036.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-5243.76Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52244.19Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 «mu»m, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52242.43Lee, 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), 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., Standard enthalpies of formation and of sublimation of 2,6-dimethylquinoline and 2,7-dimethylquinoline, J. Chem. Thermodyn., 1995, 27, 1141-1145. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Le Fevre and Le Fevre, 1935
Le Fevre, C.G.; Le Fevre, R.J.W., The dipole moments and structures of some quinoline derivatives, and the orientation of Claus and Hoffmann's x-nitroisoquinoline, J. Chem. Soc., 1935, 1935, 1470-5. [all data]

Chirico, Johnson, et al., 2007
Chirico, Robert D.; Johnson, Russell D.; Steele, William V., Thermodynamic properties of methylquinolines: Experimental results for 2,6-dimethylquinoline and mutual validation between experiments and computational methods for methylquinolines, The Journal of Chemical Thermodynamics, 2007, 39, 5, 698-711, https://doi.org/10.1016/j.jct.2006.10.012 . [all data]

Ribeiro da Silva, 1995
Ribeiro da Silva, M., Standard enthalpies of formation and of sublimation of 2,6-dimethylquinoline and 2,7-dimethylquinoline, The Journal of Chemical Thermodynamics, 1995, 27, 10, 1141-1145, https://doi.org/10.1006/jcht.1995.0118 . [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]

Ono, et al., 1986
Ono, M., et al., Chem. Pharm. Bull., 1986, 34, 1468. [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]

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]

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]

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), UV/Visible spectrum, Gas Chromatography, References