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Pyridine, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas103.8 ± 0.92kJ/molCcbGood, 1972ALS
Deltafgas102.13 ± 0.63kJ/molCmAndon, Cox, et al., 1957ALS
Deltafgas102.2 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Deltafgas92.7kJ/molN/AConstam and White, 1903Value computed using «DELTA»fHliquid° value of 48.1 kj/mol from Constam and White, 1903 and «DELTA»vapH° value of 44.6 kj/mol from Good, 1972.; DRB

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid59.20 ± 0.88kJ/molCcbGood, 1972ALS
Deltafliquid56.78 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Deltafliquid48.07kJ/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3420.7 ± 0.84kJ/molCcbGood, 1972ALS
Deltacliquid-3418.3 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Deltacliquid-3417.kJ/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
liquid209.091J/mol*KN/AMesserly, Todd, et al., 1988DH
liquid208.22J/mol*KN/AMesserly, Todd, et al., 1987DH
liquid208.22J/mol*KN/ASteele, Chirico, et al., 1986DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
158.988298.150Messerly, Todd, et al., 1988T = 10 to 400 K.; DH
158.99298.15Messerly, Todd, et al., 1987T = 10 to 410 K.; DH
158.99298.15Steele, Chirico, et al., 1986T = 10 to 410 K.; DH

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil418. ± 1.KAVGN/AAverage of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus276.8 ± 0.8KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple276.800KN/AMesserly, Todd, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC
Ttriple276.810KN/AMesserly, Todd, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple276.8KN/ASoulard, Fillaux, et al., 1986Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; phases identified by Raman spectrum; TRC
Quantity Value Units Method Reference Comment
Tc646.KN/AMajer and Svoboda, 1985 
Tc646.3KN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5 K; TRC
Tc645.65KN/AAmbrose and Grant, 1957Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc46.60barN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity Value Units Method Reference Comment
rhoc3.07mol/lN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.21 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap44.9 ± 0.5kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
37.51418.5N/AMajer and Svoboda, 1985 
43.4 ± 0.1320.EBChirico, Knipmeyer, et al., 1999Based on data from 328. - 459. K.; AC
41.1 ± 0.1360.EBChirico, Knipmeyer, et al., 1999Based on data from 328. - 459. K.; AC
38.8 ± 0.1400.EBChirico, Knipmeyer, et al., 1999Based on data from 328. - 459. K.; AC
36.2 ± 0.2440.EBChirico, Knipmeyer, et al., 1999Based on data from 328. - 459. K.; AC
41.4363.AStephenson and Malanowski, 1987Based on data from 348. - 460. K.; AC
42.1347.AStephenson and Malanowski, 1987Based on data from 348. - 347. K.; AC
40.0396.AStephenson and Malanowski, 1987Based on data from 381. - 460. K.; AC
37.9467.AStephenson and Malanowski, 1987Based on data from 452. - 573. K.; AC
37.2579.AStephenson and Malanowski, 1987Based on data from 564. - 646. K.; AC
41.4363.EB,IPStephenson and Malanowski, 1987Based on data from 348. - 459. K. See also Osborn and Douslin, 1968.; AC
43.9 ± 0.1313.CMajer, Svoboda, et al., 1984AC
42.9 ± 0.1328.CMajer, Svoboda, et al., 1984AC
42.1 ± 0.1343.CMajer, Svoboda, et al., 1984AC
41.3365.MGHerington and Martin, 1953Based on data from 350. - 418. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 298. - 434.
A (kJ/mol) 64.1
alpha 0.5241
beta 0.1879
Tc (K) 646.
ReferenceMajer and Svoboda, 1985

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
348.20 - 459.074.16981482.84-62.407Osborn and Douslin, 1968 
350.06 - 418.614.172381484.484-62.229Herington and Martin, 1953, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
62.7226.AStephenson and Malanowski, 1987Based on data from 213. - 239. K.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
255.010crystaline, IIcrystaline, ISteele, Chirico, et al., 1986DH
276.818crystaline, IliquidSteele, Chirico, et al., 1986DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.00255.00crystaline, IIcrystaline, IMesserly, Todd, et al., 1988DH
12.58228276.818crystaline, IliquidMesserly, Todd, et al., 1988DH
0.000083255.010crystaline, IIcrystaline, IMesserly, Todd, et al., 1987DH
12.577276.817crystaline, IliquidMesserly, Todd, et al., 1987DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.45276.818crystaline, IliquidMesserly, Todd, et al., 1988DH
45.43276.817crystaline, IliquidMesserly, Todd, et al., 1987DH

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:


Reaction 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 as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C6H6N- + Hydrogen cation = Pyridine, 4-methyl-

By formula: C6H6N- + H+ = C6H7N

Quantity Value Units Method Reference Comment
Deltar1547. ± 21.kJ/molG+TSMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar1568. ± 13.kJ/molG+TSDePuy, Kass, et al., 1988gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN.; B
Quantity Value Units Method Reference Comment
Deltar1518. ± 21.kJ/molIMRBMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar1540. ± 13.kJ/molIMRBDePuy, Kass, et al., 1988gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN.; B

Lithium ion (1+) + Pyridine, 4-methyl- = (Lithium ion (1+) bullet Pyridine, 4-methyl-)

By formula: Li+ + C6H7N = (Li+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar196. ± 14.kJ/molCIDTRodgers, 2001RCD

Sodium ion (1+) + Pyridine, 4-methyl- = (Sodium ion (1+) bullet Pyridine, 4-methyl-)

By formula: Na+ + C6H7N = (Na+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar133. ± 4.kJ/molCIDTRodgers, 2001RCD

Potassium ion (1+) + Pyridine, 4-methyl- = (Potassium ion (1+) bullet Pyridine, 4-methyl-)

By formula: K+ + C6H7N = (K+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar98.7 ± 4.2kJ/molCIDTRodgers, 2001RCD

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
170.6600.MN/A

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H7N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)947.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity915.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.46 ± 0.05EIZaretskii, Oren, et al., 1976LLK
9.5 ± 0.1EIStefanovic and Grutzmacher, 1974LLK
9.55 ± 0.05EIDistefano, Foffani, et al., 1971LLK
9.55EIDistefano, Foffani, et al., 1971, 2LLK
9.04 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.41PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.50 ± 0.05PEHeilbronner, Hornung, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H6+12.86 ± 0.05HCNEIZaretskii, Oren, et al., 1976LLK
C6H6N+12.2 ± 0.1HEIPalmer and Lossing, 1963RDSH

De-protonation reactions

C6H6N- + Hydrogen cation = Pyridine, 4-methyl-

By formula: C6H6N- + H+ = C6H7N

Quantity Value Units Method Reference Comment
Deltar1547. ± 21.kJ/molG+TSMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar1568. ± 13.kJ/molG+TSDePuy, Kass, et al., 1988gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN.; B
Quantity Value Units Method Reference Comment
Deltar1518. ± 21.kJ/molIMRBMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Deltar1540. ± 13.kJ/molIMRBDePuy, Kass, et al., 1988gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN.; B

Ion clustering 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Potassium ion (1+) + Pyridine, 4-methyl- = (Potassium ion (1+) bullet Pyridine, 4-methyl-)

By formula: K+ + C6H7N = (K+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar98.7 ± 4.2kJ/molCIDTRodgers, 2001 

Lithium ion (1+) + Pyridine, 4-methyl- = (Lithium ion (1+) bullet Pyridine, 4-methyl-)

By formula: Li+ + C6H7N = (Li+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar196. ± 14.kJ/molCIDTRodgers, 2001 

Sodium ion (1+) + Pyridine, 4-methyl- = (Sodium ion (1+) bullet Pyridine, 4-methyl-)

By formula: Na+ + C6H7N = (Na+ bullet C6H7N)

Quantity Value Units Method Reference Comment
Deltar133. ± 4.kJ/molCIDTRodgers, 2001 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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- 779
NIST MS number 228749

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, 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 Handa, Utena, 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. 3503
Instrument n.i.g.
Melting point 3.66
Boiling point 143.3

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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
PackedC78, Branched paraffin130.843.3Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryOV-101110.864.Golovnya, Kuz'menko, et al., 2000He; Phase thickness: 0.4 «mu»m
CapillaryOV-101110.852.Zhuravleva, 200050. m/0.3 mm/0.4 «mu»m, He
CapillaryOV-101150.877.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 «mu»m, He
PackedC78, Branched paraffin130.843.1Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.845.Dutoit, 1991Column length: 3.7 m
CapillarySE-30110.852.Samusenko and Golovnya, 198825. m/0.32 mm/1. «mu»m, He
CapillarySE-3080.845.Samusenko and Golovnya, 198825. m/0.32 mm/1. «mu»m, He
CapillaryOV-101150.863.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm
CapillaryOV-10180.846.Samusenko, Svetlova, et al., 198625. m/0.25 mm/0.156 «mu»m, He
CapillaryOV-10180.843.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 «mu»m, He
CapillaryOV-10180.843.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 «mu»m, He
CapillaryOV-10180.844.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 «mu»m, He
CapillaryOV-10180.846.Samusenko, Svetlova, et al., 198650. m/0.25 mm/0.125 «mu»m, He
PackedOV-1120.860.Valko, Papp, et al., 1984Gas Chrom Q; Column length: 2. m
PackedApiezon L130.877.Shatts, Avots, et al., 1977He, Chromosorb W AW-DMCS; Column length: 2.4 m
PackedApolane70.823.2Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon L100.857.Zhuravleva, Kapustin, et al., 1976N2 or He, Chromosorb G, AW; Column length: 2.7 m
PackedApiezon L110.865.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedApiezon L130.871.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedApiezon L150.881.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedPMS-100130.853.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100150.852.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.850.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M150.1316.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 «mu»m, He
CapillaryPEG-40M110.1309.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm
CapillaryPEG-40M80.1289.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm
PackedCarbowax 20M100.1303.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedCarbowax 20M110.1310.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedCarbowax 20M90.1297.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedPEG-2000150.1354.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.1350.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

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

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Column type Active phase I Reference Comment
CapillaryOV-1832.7Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryOV-101852.Golovnya, Samusenko, et al., 1988He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C
CapillaryOV-101850.Golovnya, Samusenko, et al., 1988He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C
CapillaryOV-101850.Golovnya, Samusenko, et al., 1988He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-5862.Premecz and Ford, 1987He, 60. C @ 10. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-5849.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS865.Varlet, Serot, et al., 200730. m/0.32 mm/0.5 «mu»m, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1346.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. «mu»m, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryCP-WAX 57CB1294.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C
CapillaryPEG-40M1308.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 «mu»m, He, 2. K/min; Tstart: 100. C
CapillaryPEG-40M1309.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 «mu»m, He, 8. K/min; Tstart: 70. C
CapillaryPEG-40M1310.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 «mu»m, He, 8. K/min; Tstart: 70. C
CapillaryPEG-40M1303.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 «mu»m, He, 4. K/min; Tstart: 80. C
CapillaryCP-WAX 57CB1320.Salter L.J., Mottram D.S., et al., 198860. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryCP-WAX 57CB1320.Whitfield, Mottram, et al., 1988He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCP-WAX 57CB1322.Whitfield, Mottram, et al., 1988He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCAM1289.Premecz and Ford, 1987He, 60. C @ 5. min, 5. K/min, 240. C @ 21. min; Column length: 15. m; Column diameter: 0.24 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5867.8Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryHP-5864.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-1848.Yu, Wu, et al., 199460. m/0.25 mm/1. «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1848.Yu, Wu, et al., 199460. m/0.25 mm/1. «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-5868.Lee, Macku, et al., 199160. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryOV-101841.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-30876.Li, Gao, et al., 2000Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.832.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1345.Galindo-Cuspinera, Lubran, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
CapillaryDB-Wax1298.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. «mu»m, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryHP-Innowax1298.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-Wax1298.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
CapillaryDB-Wax1300.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax1296.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1296.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1297.Baltes and Bochmann, 1987Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5131.86Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

Good, 1972
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Andon, Cox, et al., 1957
Andon, R.J.L.; Cox, J.D.; Herington, E.F.G.; Martin, J.F., The second virial coefficients of pyridine and benzene, and certain of their methyl homologues, Trans. Faraday Soc., 1957, 53, 1074. [all data]

Cox, Challoner, et al., 1954
Cox, J.D.; Challoner, A.R.; Meetham, A.R., The heats of combustion of pyridine and certain of its derivatives, J. Chem. Soc., 1954, 265-271. [all data]

Constam and White, 1903
Constam, E.J.; White, J., Physico-chemical investigations in the pyridine series, Am. Chem. J., 1903, 29, 1-49. [all data]

Messerly, Todd, et al., 1988
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Good, W.D.; Gammon, B.E., Condensed-phase heat-capacity studies and derived thermodynamic properties for six cyclic nitrogen compounds, J. Chem. Thermodynam., 1988, 20, 209-224. [all data]

Messerly, Todd, et al., 1987
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Gammon, B.E., Thermodynamic properties of organic nitrogen compounds that occur in shale oil and heavy petroleum-topical report, NIPER Report, 1987, 83, 37p. [all data]

Steele, Chirico, et al., 1986
Steele, W.V.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Strube, M.M., Thermochemical and thermophysical properties of organic nitrogen compounds found in fossil materials, NIPER Report, 1986, 188, 112p. [all data]

Messerly, Todd, et al., 1988, 2
Messerly, J.F.; Todd, s.S.; Finke, H.L.; Good, W.D.; Gammon, B.E., Condensed-phase heat-capacity studies and derived thermodynamic properties for six cyclic nitrogen compounds, J. Chem. Thermodyn., 1988, 20, 209. [all data]

Soulard, Fillaux, et al., 1986
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Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Kobe and Mathews, 1970
Kobe, K.A.; Mathews, J.F., Critical Properties and Vapor Pressures of Some Organic Nitrogen and Oxygen Compounds, J. Chem. Eng. Data, 1970, 15, 182. [all data]

Ambrose and Grant, 1957
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Chirico, Knipmeyer, et al., 1999
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., Thermodynamic properties of the methylpyridines. Part 2. Vapor pressures, heat capacities, critical properties, derived thermodynamic functions between the temperatures 250 K and 560 K, and equilibrium isomer distributions for all temperatures >=250 K, The Journal of Chemical Thermodynamics, 1999, 31, 3, 339-378, https://doi.org/10.1006/jcht.1998.0451 . [all data]

Stephenson and Malanowski, 1987
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Osborn and Douslin, 1968
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Majer, Svoboda, et al., 1984
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Herington and Martin, 1953
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Herington and Martin, 1953, 2
Herington, E.F.G.; Martin, J.F., Vapour Pressures of Pyridine and its Homologues, Trans. Faraday Soc., 1953, 49, 154-162, https://doi.org/10.1039/tf9534900154 . [all data]

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Kiefer, Zhang, et al., 1997
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DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]

Rodgers, 2001
Rodgers, M.T., Substituent Effects in the Binding of Alkali Metal Ions to Pyridines, Studied by Threshold Collision-Induced Dissociation and ab Initio Theory: The Methylpyridines, J. Phys. Chem. A, 2001, 105, 11, 2374, https://doi.org/10.1021/jp004055z . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Zaretskii, Oren, et al., 1976
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Stefanovic and Grutzmacher, 1974
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Distefano, Foffani, et al., 1971
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Mass spectrometric study of transition metal complexes with ligands having nitrogen or sulphur as donor atom, Adv. Mass Spectrom., 1971, 5, 696. [all data]

Distefano, Foffani, et al., 1971, 2
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Electron impact ionization potentials of some manganese, chromium and tungsten organometallic derivatives, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 383. [all data]

Watanabe, Nakayama, et al., 1962
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Klasinc, Novak, et al., 1978
Klasinc, L.; Novak, I.; Scholz, M.; Kluge, G., Photoelektronenspektren substituierter Pyridine und Benzole und ihre Interpretation durch die CNDO/SWW-Methode, Croat. Chem. Acta, 1978, 51, 43. [all data]

Heilbronner, Hornung, et al., 1972
Heilbronner, E.; Hornung, V.; Pinkerton, F.H.; Thames, S.F., 31. Photoelectron spectra of azabenzenes and azanaphthalenes: III. The orbital sequence in methyl- and trimethylsilyl- substituted pyridines, Helv. Chim. Acta, 1972, 55, 289. [all data]

Palmer and Lossing, 1963
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Handa, Utena, et al., 1986
Handa, T.; Utena, Y.; Yajima, H.; Ishii, T.; Morita, H., Excimer emission in protonated pyridine systems. 1. Fluorescence spectroscopy of protonated pyridine and its methyl derivatives in rigid glass solution at 77 K, J. Phys. Chem., 1986, 90, 2589-2596. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I., The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681 . [all data]

Zhuravleva, 2000
Zhuravleva, I.L., Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682 . [all data]

Terenina, Zhuravieva, et al., 1997
Terenina, M.B.; Zhuravieva, I.L.; Golovnya, R.V., Peculiar features of sorption of positional isomers of formyl-, acetyl-, and aminopyridines in capillary gas-liquid chromatography, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 1, 86-89, https://doi.org/10.1007/BF02495353 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Samusenko and Golovnya, 1988
Samusenko, A.L.; Golovnya, R.V., Prediction of the retention indices of methyl pyridines and pyrazines in capillary gas chromatography based on the non-linear additivity of the sorption energy, Chromatographia, 1988, 25, 6, 531-535, https://doi.org/10.1007/BF02324828 . [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]

Samusenko, Svetlova, et al., 1986
Samusenko, A.L.; Svetlova, N.I.; Golovnya, R.V., Reproducible and durable glass capillary columns with hydrogenated apiezon-l and OV-101 for the analysis of polar substances, Zh. Anal. Khim., 1986, 61, 1, 127-133. [all data]

Valko, Papp, et al., 1984
Valko, K.; Papp, O.; Darvas, F., Selection of Gas Chromatographic Stationary Phase Pairs for Characterization of the 1-Octanol-Water Partition Coefficient, J. Chromatogr., 1984, 301, 355-364, https://doi.org/10.1016/S0021-9673(01)89210-4 . [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]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Zhuravleva, Kapustin, et al., 1976
Zhuravleva, I.L.; Kapustin, Yu.P.; Golovnya, P.B., Retention indices of some isoaliphatic and heterocyclic nitrogenous bases, Zh. Anal. Khim., 1976, 31, 1378-1380. [all data]

Bark and Wheatstone, 1974
Bark, L.S.; Wheatstone, K.C., Studies in the relationship between molecular structure and chromatographic behaviour. Gas chromatographic study of monoalkylpyridines, J. Chromatogr., 1974, 92, 2, 281-289, https://doi.org/10.1016/S0021-9673(00)85738-6 . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Golovnya, Samusenko, et al., 1987
Golovnya, R.V.; Samusenko, A.L.; Dmitriev, L.B., Predicting retention indices of methyl-substituted pyridines in gas capillary chromatogrpahy on the basis of the principle of the nonadditive change in the energy of sorption, Izv. Akad. Nauk SSSR Ser. Khim., 1987, 10, 2234-2239. [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]

Golovnya, Samusenko, et al., 1988
Golovnya, R.V.; Samusenko, A.L.; Lyapin, V.A., Prediction of linear temperature programmed retention indices of methylpyridines in capillary gas chromatography, Zh. Anal. Khim., 1988, 63, 2, 311-317. [all data]

Premecz and Ford, 1987
Premecz, J.E.; Ford, M.E., Gas chromatographic separation of substituted pyridines, J. Chromatogr., 1987, 388, 23-35, https://doi.org/10.1016/S0021-9673(01)94463-2 . [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]

Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C., Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques, J. Agric. Food Chem., 2007, 55, 11, 4518-4525, https://doi.org/10.1021/jf063468f . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield, Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid, J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211 . [all data]

Whitfield, Mottram, et al., 1988
Whitfield, F.B.; Mottram, D.S.; Brock, S.; Puckey, D.J.; Salter, L.J., Effect of Phospholipid on the Formation of Volatile Heterocyclic Compounds in Heated Aqueous Solutions of Amino Acids and Ribose, J. Sci. Food Agric., 1988, 42, 3, 261-272, https://doi.org/10.1002/jsfa.2740420309 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [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]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Volatile compounds generated from the thermal interaction of glucose and alliin or deoxyalliin in propylene glycol, Food Chem., 1994, 51, 3, 281-286, https://doi.org/10.1016/0308-8146(94)90028-0 . [all data]

Lee, Macku, et al., 1991
Lee, S.-R.; Macku, C.; Shibamoto, T., Isolation and identification of headspace volatiles formed in heated butter, J. Agric. Food Chem., 1991, 39, 11, 1972-1975, https://doi.org/10.1021/jf00011a017 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A., Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts, J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h . [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [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]

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]

Baltes and Bochmann, 1987
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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References