2-Hexanone

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Gas phase ion energetics data

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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:
L - 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
IE (evaluated)9.35 ± 0.06eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.24 ± 0.02PEAshmore and Burgess, 1978LLK
9.331 ± 0.005PEHernandez, Masclet, et al., 1977LLK
9.2EIMcLafferty, Bente, et al., 1973LLK
9.36 ± 0.02PECocksey, Eland, et al., 1971LLK
9.37 ± 0.02PIMurad and Inghram, 1964RDSH
9.34 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.44 ± 0.03PIVilesov, 1960RDSH
9.38PEBenoit and Harrison, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+11.65?EIPotzinger and Bunau, 1969RDSH
C2H3O+10.8?PIMurad and Inghram, 1964RDSH
C3H6O+10.1 ± 0.1C3H6EIBurgers and Holmes, 1982LBLHLM
C3H6O+10.04C3H6EIHolmes and Lossing, 1980LLK
C3H6O+10.00C3H6PIMurad and Inghram, 1964RDSH
C4H7O+10.03C2H5PIMurad and Inghram, 1964RDSH
C4H9+11.92?EIPotzinger and Bunau, 1969RDSH
C5H9O+9.4CH3EIMcLafferty, Bente, et al., 1973LLK
C5H9O+9.66CH3PIMurad and Inghram, 1964RDSH

De-protonation reactions

C6H11O- + Hydrogen cation = 2-Hexanone

By formula: C6H11O- + H+ = C6H12O

Quantity Value Units Method Reference Comment
Δr365.8 ± 2.1kcal/molTDEqBurkell, Fridgen, et al., 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr358.7 ± 2.0kcal/molTDEqBurkell, Fridgen, et al., 2003gas phase; B

IR Spectrum

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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

Spectrum

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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
NIST MS number 341357

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
CapillaryOV-1333.767.9Hu, Lu, et al., 2006 
CapillaryDB-1313.767.07Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1323.766.66Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1333.765.86Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1343.766.82Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1353.767.68Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1363.768.37Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1373.768.70Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1383.769.32Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1393.769.68Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1403.771.05Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1413.772.24Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1423.774.21Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5313.788.05Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5323.787.01Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5333.787.84Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5343.789.11Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5353.789.29Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5363.789.92Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5373.790.50Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5383.791.67Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5393.792.39Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5403.793.70Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5413.795.42Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5423.797.53Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-150.769.69Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-175.770.63Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-1100.770.60Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-1125.767.41Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-1150.765.83Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-550.790.62Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-575.791.12Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-5100.791.21Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-5125.790.92Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-5150.792.67Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryHP-1110.769.0Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-130.766.9Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-140.766.8Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-150.766.97Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-160.767.1Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-170.767.3Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-190.768.04Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-10160.767.70Garay, 200050. m/0.2 mm/0.2 μm, H2
CapillaryHP-1110.769.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-150.767.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-170.767.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-190.768.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillarySE-30100.775.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-30110.777.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-3080.774.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-3090.774.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillaryOV-101150.766.6Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.772.0Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
PackedC78, Branched paraffin130.731.4Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillarySE-54110.791.3Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillarySE-54130.792.3Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillarySE-54150.794.3Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillaryApiezon L + KF60.770.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
PackedApiezon L70.742.Jaworski, 1982Column length: 1.8 m
PackedSE-30150.773.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.751.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.759.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.747.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane100.763.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.764.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.764.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedApolane190.738.0Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane60.728.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane60.736.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
PackedSE-30150.778.Haken, Ho, et al., 1975Column length: 3.7 m
CapillarySqualane100.745.6Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane50.726.Mira and Sanchez, 1970Chromosorb G
PackedSqualane70.727.Mira and Sanchez, 1970Chromosorb G
PackedApiezon L100.745.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.752.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L130.747.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L190.752.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-1772.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-1761.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1770.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1770.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-1771.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillarySE-54788.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101768.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101775.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax100.1098.02Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryDB-Wax125.1116.32Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. μm, He
CapillaryHP-Innowax110.1113.0Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax50.1097.2Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax70.1102.2Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax90.1107.6Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-201082.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPEG-20M1079.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryDB-5790.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-5788.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-5802.Solina, Baumgartner, et al., 200525. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C
CapillaryCP-Sil 8CB-MS789.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
CapillaryDB-1760.6Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryDB-5787.5Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryBPX-5802.Bredie, Mottram, et al., 200250. m/0.32 mm/0.5 μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5801.Venskutonis, Vasiliauskaite, et al., 200230. m/0.32 mm/0.25 μm, He, 40. C @ 4. min, 5. K/min; Tend: 260. C
CapillarySPB-1771.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
CapillaryBP-5792.Whitfield and Mottram, 20014. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 250. C
CapillaryDB-5792.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-5793.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-5798.Madruga and Mottram, 199830. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5792.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-5793.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-1770.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillarySE-30760.Misharina and Golovnya, 199650. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-5792.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5793.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5789.Gómez, Ledbetter, et al., 1993He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryDB-1763.Zhang and Ho, 198960. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C
CapillaryDB-5792.Guichard and Souty, 1988H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C
PackedApiezon M747.Golovnya and Uraletz, 1971N2, Celite 545, 6. K/min; Column length: 1.5 m; Tstart: 75. C; Tend: 200. C
PackedApiezon M753.Golovnya and Uraletz, 1971N2, Celite 545, 6. K/min; Column length: 1.5 m; Tstart: 75. C; Tend: 200. C
PackedApiezon M755.Golovnya and Uraletz, 1971N2, Celite 545, 6. K/min; Column length: 1.5 m; Tstart: 75. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryCP-Sil 8CB-MS792.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryDB-5803.Parker, Hassell, et al., 200050. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C
CapillaryDB-5750.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-5789.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryBPX-5807.Elmore, Mottram, et al., 199950. m/0.32 mm/0.5 μm, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C

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

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Column type Active phase I Reference Comment
CapillaryZB-Wax1074.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1077.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1060.Ledauphin, Basset, et al., 200630. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min
CapillaryDB-Wax1124.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillarySupelcowax-101083.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-101083.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101083.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryFFAP1094.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillarySupelcowax-101083.Chung and Cadwallader, 199360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillarySupelcowax-101084.Matiella and Hsieh, 199060. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101082.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101089.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101081.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101089.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-101082.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryInnowax1092.Larráyoz, Addis, et al., 200160. m/0.22 mm/0.25 μm, He; Program: 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min)
CapillaryCP-Wax 52CB1095.Madruga and Mottram, 199850. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min)
CapillarySupelcowax-101078.Baek and Cadwallader, 199660. m/0.25 mm/0.25 μm; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)
CapillaryFFAP1083.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, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.769.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.768.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.769.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.769.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.771.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.771.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.768.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.768.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
CapillaryOV-160.767.Amboni, Junkes, et al., 2002 
PackedApieson L120.758.Kurdina, Markovich, et al., 1969not specified, not specified

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOptima-5 MS786.Goeminne, Vandendriessche, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min
CapillaryVF-5 MS789.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS791.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryOV-101768.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C
CapillarySPB-5789.Sivadier, Ratel, et al., 200960. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
CapillaryHP-5792.Mildner-Szkudlarz and Jelen, 200810. m/0.10 mm/0.40 μm, Helium, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
Capillary5 % Phenyl methyl siloxane792.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5790.Isidorov, Purzynska, et al., 200630. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryMDN-5787.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryHP-5788.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-5790.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-5786.Dhanda, Pegg, et al., 200360. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 5. K/min, 280. C @ 4. min
CapillarySPB-5786.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryDB-5789.Joffraud, Leroi, et al., 200160. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5789.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryOV-101761.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryHP-5800.Boylston and Viniyard, 199850. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
CapillaryDB-1770.Robacker and Bartelt, 199730. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C
CapillaryDB-1761.Buttery, Stern, et al., 1994He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryCross-Linked Methylsilicone765.Bravo and Hotchkiss, 1993He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C
CapillaryDB-5792.Moio, Dekimpe, et al., 199330. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5793.Moio, Dekimpe, et al., 199330. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-1759.Shiota, 199330. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1761.Shiota, 199330. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1761.Shiota, 199330. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-1761.Shiota, 199330. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-5790.Lee, Macku, et al., 199160. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryDB-5792.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryDB-5793.Macku and Shibamoto, 1991, 2He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryOV-101747.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-101772.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-1775.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101767.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C
CapillarySP 2100760.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; Tstart: 40. C; Tend: 200. C
CapillarySF-96779.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-5 MS797.Kurashov, Mitrukova, et al., 201415. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)
CapillaryHP-5791.Pugliese, Sirtori, et al., 200950. m/0.32 mm/1.05 μm, Helium; Program: not specified
CapillarySqualane778.Chen, 2008Program: not specified
CapillaryMethyl Silicone747.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone768.Feng and Mu, 2007Program: not specified
CapillaryDB-5 MS795.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryHP-5MS791.Mallia, Escher, et al., 2007Program: not specified
CapillaryHP-5788.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
CapillaryMethyl Silicone769.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryDB-1756.Cramer, Mattinson, et al., 200560. m/0.32 mm/0.25 μm, He; Program: 33C(5min) => 2C/min => 50c => 5C/min => 225C
CapillaryHP-5782.Thierry, Maillard, et al., 200560. m/0.32 mm/1. μm; Program: not specified
CapillaryHP-5791.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5791.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryHP-1767.Junkes, Amboni, et al., 2004Program: not specified
CapillarySE-30772.Vinogradov, 2004Program: not specified
CapillarySPB-5786.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryDB-5790.Chung, Heymann, et al., 200360. m/0.25 mm/0.25 μm; Program: 35C => 5C/min => 120C => 2C/min => 160C => 7C/min => 250C
CapillaryPolydimethyl siloxane767.Junkes, Castanho, et al., 2003Program: not specified
CapillaryBPX-5788.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryMethyl phenyl siloxane (not specified)787.Poligne, Collignan, et al., 2002Program: not specified
CapillaryDB-5 MS806.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryMethyl Silicone768.Estrada and Gutierrez, 1999Program: not specified
CapillarySPB-1771.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes768.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-1768.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1768.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1771.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1787.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1769.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-1769.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryOV-1787.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.1102.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He
PackedPEG100.1112.Dowling, Evans, et al., 1990Phasesep W (10 %)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1100.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1069.Moon and Shibamoto, 201060. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryDB-Wax1075.Karlsson, Birgersson, et al., 200930. m/0.25 mm/0.25 μm, Hydrogen, 30. C @ 5. min, 8. K/min, 230. C @ 10. min
CapillaryRTX-Wax1083.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryZB-Wax1074.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1077.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax1100.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1077.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1088.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1107.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1068.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax1078.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 20M1070.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillarySP-10001095.De Llano D.G., Ramos M., et al., 199025. m/0.2 mm/0.43 μm, N2, 4. K/min, 190. C @ 30. min; Tstart: 60. C
CapillaryCarbowax 20M1100.Buttery, Kamm, et al., 19841. K/min, 170. C @ 30. min; Column length: 150. m; Column diameter: 0.64 mm; Tstart: 50. C
CapillaryCarbowax 20M1076.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C
CapillaryCarbowax 20M1080.Seifert and King, 1982He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1087.Bardakci, Demirci, et al., 201260. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C
CapillaryInnowax1097.Junkes, Amboni, et al., 2004Program: not specified
CapillaryCarbowax 20M1070.Vinogradov, 2004Program: not specified
CapillaryCP-Wax 52CB1090.Muresan, Eillebrecht, et al., 200050. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
CapillaryDB-Wax1078.Peng, Yang, et al., 1991Program: not specified
CapillaryPolyethylene Glycol1070.MacLeod and Pieris, 1981Program: not specified

References

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Ashmore and Burgess, 1978
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Hernandez, Masclet, et al., 1977
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McLafferty, Bente, et al., 1973
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Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Murad and Inghram, 1964
Murad, E.; Inghram, M.G., Photoionization of aliphatic ketones, J. Chem. Phys., 1964, 40, 3263. [all data]

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Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

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Vilesov, F.I., The photoionization of vapors of compounds whose molecules contain carbonyl groups, Dokl. Phys. Chem., 1960, 132, 521, In original 1332. [all data]

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Notes

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