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Pyridine, 5-ethyl-2-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
Deltafgas34.9 ± 2.0kJ/molCcbGubareva, Gerasimov, et al., 1992 

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
Deltafliquid-11.4 ± 1.9kJ/molCcbGubareva, Gerasimov, et al., 1992 
Quantity Value Units Method Reference Comment
Deltacliquid-4708.7 ± 1.9kJ/molCcbGubareva, Gerasimov, et al., 1992 

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, Kenneth Kroenlein 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
Tboil451.5KN/AWeast and Grasselli, 1989BS
Tboil451.35KN/AAnonymous, 1968TRC
Tboil449.15KN/AFarberov, Kut'in, et al., 1961Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus202.85KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Deltavap46.3 ± 0.4kJ/molVGubareva, Gerasimov, et al., 1992ALS
Deltavap46.3kJ/molN/AGubareva, Gerasimov, et al., 1992DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
45.4363.AStephenson and Malanowski, 1987Based on data from 348. - 451. K.; AC
51.6264.GSVan de Rostyne and Prausnitz, 1980Based on data from 253. - 276. K.; 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
325.1 - 449.812.75364805.918-159.98Frolov, Loginova, et al., 1961Coefficents 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- 528
NIST MS number 229129

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 Fihtengolts, 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. 20175
Instrument SF-4
Boiling point 178

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
PackedApiezon L130.1038.Shatts, Avots, et al., 1977He, Chromosorb W AW-DMCS; Column length: 2.4 m

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

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Column type Active phase I Reference Comment
CapillaryOV-11000.Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1408.Baltes and Bochmann, 1987Column length: 50. m; Column diameter: 0.3 mm; Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1019.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-51023.Kubec, Drhová, et al., 199830. m/0.25 mm/0.25 «mu»m, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-1982.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1986.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 3. K/min; Tend: 240. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySE-301029.Li, Gao, et al., 2000Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-FFAP1408.Qian and Reineccius, 200225. m/0.32 mm/0.52 «mu»m, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryHP-Innowax1409.Kubec, Drhová, et al., 199830. m/0.25 mm/0.25 «mu»m, N2, 40. C @ 3. min, 4. K/min, 190. C @ 10. min
CapillaryDB-Wax1413.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax1407.Baltes and Bochmann, 1987, 2Program: not specified
CapillaryCarbowax1408.Baltes and Bochmann, 1987, 2Program: not specified
CapillaryCarbowax1411.Baltes and Bochmann, 1987, 2Program: not specified

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.

Gubareva, Gerasimov, et al., 1992
Gubareva, A.I.; Gerasimov, P.A.; Tarbeyeva, N.A.; Kunderenko, V.M., Physicochemical Properties of 2-methyl-5-ethylpyridine, Khim.-Farm. Zh., 1992, 26, 40-41. [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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Farberov, Kut'in, et al., 1961
Farberov, M.I.; Kut'in, A.M.; Ustavshchikov, V.F., The conditions of 2-methyl-5-vinylprydine synthesis, Zh. Prikl. Khim. (Leningrad), 1961, 34, 632. [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]

Van de Rostyne and Prausnitz, 1980
Van de Rostyne, Catherine; Prausnitz, John M., Vapor pressures of some nitrogen-containing, coal-derived liquids, J. Chem. Eng. Data, 1980, 25, 1, 1-3, https://doi.org/10.1021/je60084a008 . [all data]

Frolov, Loginova, et al., 1961
Frolov, A.F.; Loginova, M.A.; Kiselev, M.M., Saturated Vapor Pressure and Vapor-Liquid Equilibrium of the System 2-Methyl-5-Vinylpyridine-2-Methyl-5-Ethylpyridine, Zh. Fiz. Khim., 1961, 35, 8, 1784-1788. [all data]

Fihtengolts, et al., 1969
Fihtengolts, V.S., et al., Atlas of UV Absorption Spectra of Substances Used in Synthetic Rubber Manufacture, 1969, 179. [all data]

Shatts, Avots, et al., 1977
Shatts, V.D.; Avots, A.A.; Belikov, V.A., Retention indices of alkylpyridines, Zh. Anal. Khim., 1977, 32, 4, 631-638. [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]

Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G., Model reactions on roast aroma formation. 1. Reaction of serine and threonine with sucrose under the conditions of coffee roasting and identification of new coffee aroma compounds, J. Agric. Food Chem., 1987, 35, 3, 340-346, https://doi.org/10.1021/jf00075a015 . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Kubec, Drhová, et al., 1998
Kubec, R.; Drhová, V.; Velísek, J., Thermal degradation of S-methylcysteine and its sulfoxide-important flavor precursors of Bassica and Allium vegetables, J. Agric. Food Chem., 1998, 46, 10, 4334-4340, https://doi.org/10.1021/jf980379x . [all data]

Ishihara, Tsuneya, et al., 1992
Ishihara, M.; Tsuneya, T.; Shiga, M.; Kawashima, S.; Yamagishi, K.; Yoshida, F.; Sato, H.; Uneyama, K., New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita), J. Agric. Food Chem., 1992, 40, 9, 1647-1655, https://doi.org/10.1021/jf00021a034 . [all data]

Li, Gao, et al., 2000
Li, R.; Gao, S.-G.; Xiang, B.-R., Using improved BP neural network in predicting GC retention indices, Computers appl. chem. (Chinese), 2000, 17, 1-2, 113-114. [all data]

Qian and Reineccius, 2002
Qian, M.; Reineccius, G., Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry, J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1 . [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

Baltes and Bochmann, 1987, 2
Baltes, W.; Bochmann, G., Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting, Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331 . [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