Pyridine, 2-methyl-

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Gas phase thermochemistry data

Go To: Top, 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, Notes

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

Quantity Value Units Method Reference Comment
Δfgas-6.33kcal/molN/AKosorotov, Zemlyakova, et al., 1978Value computed using ΔfHliquid° value of -69.0 kj/mol from Kosorotov, Zemlyakova, et al., 1978 and ΔvapH° value of 42.5 kj/mol from Scott, Hubbard, et al., 1963.; DRB
Δfgas23.65 ± 0.21kcal/molCcbScott, Hubbard, et al., 1963ALS
Δfgas24.36 ± 0.31kcal/molCmAndon, Cox, et al., 1957ALS
Δfgas24.38 ± 0.31kcal/molCcbCox, Challoner, et al., 1954ALS
Δfgas21.0kcal/molN/AConstam and White, 1903Value computed using ΔfHliquid° value of 45.3 kj/mol from Constam and White, 1903 and ΔvapH° value of 42.5 kj/mol from Scott, Hubbard, et al., 1963.; 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
Δfliquid-16.49kcal/molCcbKosorotov, Zemlyakova, et al., 1978impure compound; ALS
Δfliquid13.50 ± 0.18kcal/molCcbScott, Hubbard, et al., 1963ALS
Δfliquid14.10 ± 0.31kcal/molCcbCox, Challoner, et al., 1954ALS
Δfliquid10.82kcal/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
Δcliquid-786.91kcal/molCcbKosorotov, Zemlyakova, et al., 1978impure compound; ALS
Δcliquid-816.92 ± 0.16kcal/molCcbScott, Hubbard, et al., 1963ALS
Δcliquid-817.52 ± 0.31kcal/molCcbCox, Challoner, et al., 1954ALS
Δcliquid-816.1kcal/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
liquid52.070cal/mol*KN/AScott, Hubbard, et al., 1963DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
37.861298.15Scott, Hubbard, et al., 1963T = 12 to 370 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, 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil402. ± 1.KAVGN/AAverage of 34 out of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus206. ± 3.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple206.46KN/AScott, Hubbard, et al., 1963, 2Uncertainty assigned by TRC = 0.05 K; by extrapolation of 1/f to 0.0; TRC
Ttriple206.44KN/AHelm, Lanum, et al., 1958Uncertainty assigned by TRC = 0.03 K; measured in calorimeter at USBM, Bartlesville, OK; TRC
Quantity Value Units Method Reference Comment
Tc621.KN/AMajer and Svoboda, 1985 
Tc621.1KN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc45.40atmN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.6000 atm; TRC
Quantity Value Units Method Reference Comment
ρc2.99mol/lN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.32 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap10.2 ± 0.2kcal/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.645402.6N/AMajer and Svoboda, 1985 
9.85 ± 0.02320.EBChirico, Knipmeyer, et al., 1999Based on data from 308. - 441. K.; AC
9.27 ± 0.02360.EBChirico, Knipmeyer, et al., 1999Based on data from 308. - 441. K.; AC
8.70 ± 0.02400.EBChirico, Knipmeyer, et al., 1999Based on data from 308. - 441. K.; AC
8.05 ± 0.07440.EBChirico, Knipmeyer, et al., 1999Based on data from 308. - 441. K.; AC
10.0307.EBLencka, 1990Based on data from 292. - 403. K.; AC
11.2230.AStephenson and Malanowski, 1987Based on data from 209. - 245. K.; AC
8.72444.AStephenson and Malanowski, 1987Based on data from 429. - 537. K.; AC
8.46536.AStephenson and Malanowski, 1987Based on data from 521. - 621. K.; AC
9.35367.EB,IPStephenson and Malanowski, 1987Based on data from 352. - 445. K. See also Osborn and Douslin, 1968.; AC
9.35367.EBStephenson and Malanowski, 1987Based on data from 352. - 442. K. See also Rysselberghe and Fristrom, 1945.; AC
9.94 ± 0.02313.CMajer, Svoboda, et al., 1984AC
9.73 ± 0.02328.CMajer, Svoboda, et al., 1984AC
9.51 ± 0.02343.CMajer, Svoboda, et al., 1984AC
9.15 ± 0.02368.CMajer, Svoboda, et al., 1984AC
9.51352.MGHerington and Martin, 1953Based on data from 337. - 403. K.; AC
9.27 ± 0.02359.CRysselberghe and Fristrom, 1945AC
9.01 ± 0.02379.CRysselberghe and Fristrom, 1945AC
8.65 ± 0.02402.CRysselberghe and Fristrom, 1945AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. - 403.14.070.2879621.Majer and Svoboda, 1985 

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
352.94 - 441.514.130421401.681-63.162Scott, Hubbard, et al., 1963Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.3241206.45Scott, Hubbard, et al., 1963DH
2.32206.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
11.26206.45Scott, Hubbard, et al., 1963DH

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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, 2-methyl-

By formula: C6H6N- + H+ = C6H7N

Quantity Value Units Method Reference Comment
Δr376.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B
Quantity Value Units Method Reference Comment
Δr370.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B

C6H8N+ + Pyridine, 2-methyl- = (C6H8N+ • Pyridine, 2-methyl-)

By formula: C6H8N+ + C6H7N = (C6H8N+ • C6H7N)

Quantity Value Units Method Reference Comment
Δr23.0kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

Lithium ion (1+) + Pyridine, 2-methyl- = (Lithium ion (1+) • Pyridine, 2-methyl-)

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

Quantity Value Units Method Reference Comment
Δr46.4 ± 1.6kcal/molCIDTRodgers, 2001RCD

Sodium ion (1+) + Pyridine, 2-methyl- = (Sodium ion (1+) • Pyridine, 2-methyl-)

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

Quantity Value Units Method Reference Comment
Δr30.6 ± 1.1kcal/molCIDTRodgers, 2001RCD

Potassium ion (1+) + Pyridine, 2-methyl- = (Potassium ion (1+) • Pyridine, 2-methyl-)

By formula: K+ + C6H7N = (K+ • C6H7N)

Quantity Value Units Method Reference Comment
Δr23.4 ± 0.8kcal/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 Comment
34. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
99.6400.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)226.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity219.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.37 ± 0.05EIZaretskii, Oren, et al., 1976LLK
9.4 ± 0.1EIStefanovic and Grutzmacher, 1974LLK
9.02 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.26PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.18PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.20PERamsey and Walker, 1974Vertical value; LLK
9.20 ± 0.05PEHeilbronner, Hornung, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H6+12.87 ± 0.05HCNEIZaretskii, Oren, et al., 1976LLK
C6H6N+12.4 ± 0.1HEIPalmer and Lossing, 1963RDSH

De-protonation reactions

C6H6N- + Hydrogen cation = Pyridine, 2-methyl-

By formula: C6H6N- + H+ = C6H7N

Quantity Value Units Method Reference Comment
Δr376.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B
Quantity Value Units Method Reference Comment
Δr370.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - 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

C6H8N+ + Pyridine, 2-methyl- = (C6H8N+ • Pyridine, 2-methyl-)

By formula: C6H8N+ + C6H7N = (C6H8N+ • C6H7N)

Quantity Value Units Method Reference Comment
Δr23.0kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

Potassium ion (1+) + Pyridine, 2-methyl- = (Potassium ion (1+) • Pyridine, 2-methyl-)

By formula: K+ + C6H7N = (K+ • C6H7N)

Quantity Value Units Method Reference Comment
Δr23.4 ± 0.8kcal/molCIDTRodgers, 2001RCD

Lithium ion (1+) + Pyridine, 2-methyl- = (Lithium ion (1+) • Pyridine, 2-methyl-)

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

Quantity Value Units Method Reference Comment
Δr46.4 ± 1.6kcal/molCIDTRodgers, 2001RCD

Sodium ion (1+) + Pyridine, 2-methyl- = (Sodium ion (1+) • Pyridine, 2-methyl-)

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

Quantity Value Units Method Reference Comment
Δr30.6 ± 1.1kcal/molCIDTRodgers, 2001RCD

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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291568

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 Herington, 1950
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. 12451
Instrument Beckman quartz spectrophotometer and Unicam quartz spectrophotometer
Melting point - 66.7
Boiling point 129.3

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedC78, Branched paraffin130.802.3Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryOV-101110.814.Golovnya, Kuz'menko, et al., 2000He; Phase thickness: 0.4 μm
CapillaryOV-101110.804.Zhuravleva, 200050. m/0.3 mm/0.4 μm, He
PackedC78, Branched paraffin130.802.2Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillaryHP-160.799.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.800.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
PackedApolane130.803.Dutoit, 1991Column length: 3.7 m
CapillarySE-30110.804.Samusenko and Golovnya, 198825. m/0.32 mm/1. μm, He
CapillarySE-3080.800.Samusenko and Golovnya, 198825. m/0.32 mm/1. μm, He
CapillaryOV-101150.814.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm
CapillaryOV-10180.800.Samusenko, Svetlova, et al., 198625. m/0.25 mm/0.156 μm, He
CapillaryOV-10180.799.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 μm, He
CapillaryOV-10180.799.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 μm, He
CapillaryOV-10180.801.Samusenko, Svetlova, et al., 198635. m/0.25 mm/0.125 μm, He
CapillaryOV-10180.802.Samusenko, Svetlova, et al., 198650. m/0.25 mm/0.125 μm, He
CapillaryApiezon LH + KF100.816.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.818.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.818.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.819.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.819.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.819.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon LH + KF100.819.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.816.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.816.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.816.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.817.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.818.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.818.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.818.Samusenko, Svetlova, et al., 198630. m/0.25 mm/0.063 μm, He
CapillaryApiezon L + KF100.816.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
CapillaryApiezon L + KF100.816.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
CapillaryApiezon L + KF100.818.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
CapillaryApiezon L + KF100.818.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
CapillaryApiezon L + KF100.819.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
CapillaryApiezon L + KF100.819.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
PackedSE-30150.820.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedApiezon L130.837.Shatts, Avots, et al., 1977He, Chromosorb W AW-DMCS; Column length: 2.4 m
PackedApolane70.786.6Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon L100.811.Zhuravleva, Kapustin, et al., 1976N2 or He, Chromosorb G, AW; Column length: 2.7 m
PackedApiezon L110.808.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedApiezon L130.815.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedApiezon L150.825.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedPMS-100130.799.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100150.792.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.792.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-40M110.1225.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm
CapillaryPEG-40M80.1212.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm
CapillaryPEG-20M150.1265.Morishita, Morimoto, et al., 1986N2; Column length: 20. m; Column diameter: 0.23 mm
PackedCarbowax 20M100.1222.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedCarbowax 20M110.1224.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedCarbowax 20M90.1218.Bark and Wheatstone, 1974N2, Chromosorb W AW-DCMS; Column length: 2. m
PackedPEG-2000150.1262.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.1266.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1234.Yeo and Shibamoto, 1991He, 60. C @ 4. min, 4. K/min, 180. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5821.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryCP-Sil 8CB-MS818.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryBPX-5824.Ames, Guy, et al., 200150. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5824.Ames, Guy, et al., 2001, 250. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryDB-1792.Kim, 200160. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C
CapillaryCP Sil 8 CB811.Chevance and Farmer, 199960. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-1790.0Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-1787.Izzo and Ho, 199150. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C
CapillaryOV-101805.Golovnya, Samusenko, et al., 1988He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C
CapillaryOV-101802.Golovnya, Samusenko, et al., 1988He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C
CapillaryOV-101803.Golovnya, Samusenko, et al., 1988He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-1787.Zhang, Chien, et al., 198860. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C
CapillaryDB-5814.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-5807.Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Sil 8CB-MS821.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1211.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCP-Wax 52CB1213.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-101213.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101213.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1214.Kim, 200160. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryCP-Wax 52CB1206.Chevance and Farmer, 199960. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-101214.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101211.Chung, 1999, 260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1216.Shimoda, Shiratsuchi, et al., 199660. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1227.Chung, Eiserich, et al., 1994He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCP-Wax 52CB1200.Yu, Wu, et al., 199350. m/0.32 mm/0.25 μm, H2, 40. C @ 10. min, 1.5 K/min, 200. C @ 60. min
CapillaryPEG-40M1226.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 μm, He, 2. K/min; Tstart: 100. C
CapillaryPEG-40M1223.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 μm, He, 8. K/min; Tstart: 70. C
CapillaryPEG-40M1226.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 μm, He, 8. K/min; Tstart: 70. C
CapillaryPEG-40M1222.Golovnya, Samusenko, et al., 198825. m/0.32 mm/0.80 μm, He, 4. K/min; Tstart: 80. C
CapillaryCP-WAX 57CB1242.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 57CB1242.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 57CB1242.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
CapillaryCAM1215.677Premecz and Ford, 1987He, 60. C @ 5. min, 5. K/min, 240. C @ 21. min; Column length: 15. m; Column diameter: 0.24 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1190.Yasuhara, 198750. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-5826.Harrison and Priest, 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillaryHP-5820.0Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillarySPB-5815.Poligné, Collignan, et al., 200160. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryHP-5816.Kubec, Drhová, et al., 199930. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-1799.Chen and Ho, 199860. m/0.32 mm/1.0 μm, He, 3. K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-5816.Kubec, Drhová, et al., 199830. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-1797.Yu, Wu, et al., 199460. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1799.Yu, Wu, et al., 1994, 260. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1799.Yu, Wu, et al., 1994, 260. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1770.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1772.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryOV-101799.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 μm, 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
CapillaryCP Sil 5 CB800.Counet, Callemien, et al., 200250. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
CapillarySE-30825.Li, Gao, et al., 2000Program: not specified
CapillaryDB-1795.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-1798.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1205.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryDB-Wax1240.Moon and Shibamoto, 200960. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryFFAP1243.Nebesny, Budryn, et al., 200730. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
CapillaryTC-Wax1240.Ishizaki, Tachihara, et al., 200560. m/0.25 mm/0.25 μm, N2, 3. K/min, 220. C @ 40. min; Tstart: 70. C
CapillaryTC-Wax1234.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryTC-Wax1234.Fukami, Ishiyama, et al., 200260. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryRTX-Wax1241.Galindo-Cuspinera, Lubran, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
CapillaryHP-Wax1239.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1239.Maeztu, Sanz, et al., 200160. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1239.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Innowax1219.Kubec, Drhová, et al., 199930. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min, 190. C @ 10. min
CapillaryDB-Wax1214.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryHP-Innowax1219.Kubec, Drhová, et al., 199830. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 190. C @ 10. min
CapillaryPEG-20M1182.Kubota, Matsujage, et al., 199650. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 60. C; Tend: 180. C
CapillaryDB-Wax1216.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M1220.Seifert and King, 1982He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm
CapillaryCarbowax 20M1210.Liardon and Ledermann, 1980H2, 2. K/min; Column length: 39. m; Column diameter: 0.30 mm; Tstart: 60. C; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1229.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax1239.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
CapillaryTC-Wax1240.Kraft and Switt, 2005Program: not specified
CapillaryDB-Wax1216.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryTC-Wax1240.Tachihara, Ishizaki, et al., 2004Program: not specified
CapillaryDB-Wax1210.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax1209.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1209.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1209.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1210.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1210.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1211.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1212.Baltes and Bochmann, 1987Program: not specified
CapillarySuperox 0.6; Carbowax 20M1180.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1180.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS121.17Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS130.12Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-5125.11Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, 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.

Kosorotov, Zemlyakova, et al., 1978
Kosorotov, V.I.; Zemlyakova, Z.F.; Platonov, V.A.; Ovchinnikov, V.G.; Simulin, Yu.N.; Dzhagatspanyan, R.V., Determination of thermal effects of the synthesis of chloropicolines and chloroaminopicolines, J. Appl. Chem. USSR (Engl. Transl.), 1978, 51, 2262-2263, In original 2376. [all data]

Scott, Hubbard, et al., 1963
Scott, D.W.; Hubbard, W.N.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Good, W.D.; Douslin, D.R.; McCullough, J.P., Chemical thermodynamic properties and internal rotation of methylpyridines. I. 2-methylpyridine, J. Phys. Chem., 1963, 67, 680-685. [all data]

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
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Scott, Hubbard, et al., 1963, 2
Scott, D.W.; Hubbard, W.N.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Good, W.D.; Douslin, D.R.; McCullough, J.P., Chemical Thermodynamic Properties and Internal Rotation of Methylpyridines I. 2-Methylpyridine, J. Phys. Chem., 1963, 67, 680. [all data]

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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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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]

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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]

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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]

Reddy, Dutoit, et al., 1992
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Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J., Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions, Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894 . [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]

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Notes

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