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
Δfgas28.90 ± 0.69kcal/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
Δvap16.0 ± 0.05kcal/molIP,EBChirico, Johnson, et al., 2007Based on data from 337. to 591. K.; AC
Quantity Value Units Method Reference Comment
Δsub20.2 ± 0.36kcal/molVRibeiro da Silva, Matos, et al., 1995ALS
Δsub20.2kcal/molN/ARibeiro da Silva, Matos, et al., 1995DRB
Δsub20.2 ± 0.36kcal/molCRibeiro da Silva, 1995AC

Enthalpy of vaporization

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

Enthalpy of fusion

ΔfusH (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:


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

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]


Notes

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