1-Decanol

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 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-94. ± 3.kcal/molAVGN/AAverage of 6 values; Individual data points

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 compiled by: John E. Bartmess

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

C10H21O- + Hydrogen cation = 1-Decanol

By formula: C10H21O- + H+ = C10H22O

Quantity Value Units Method Reference Comment
Δr372.9 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.
Quantity Value Units Method Reference Comment
Δr366.3 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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 compiled by: John E. Bartmess

De-protonation reactions

C10H21O- + Hydrogen cation = 1-Decanol

By formula: C10H21O- + H+ = C10H22O

Quantity Value Units Method Reference Comment
Δr372.9 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.
Quantity Value Units Method Reference Comment
Δr366.3 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value.

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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 thermochemistry data, Reaction thermochemistry data, 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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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, 2010
NIST MS number 374910

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.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryZB-5120.1271.19Lebrón-Aguilar, Eduardo Quintanilla-López, et al., 200260. m/0.25 mm/0.25 μm
CapillarySE-30100.1255.7Tudor, 199740. m/0.35 mm/0.35 μm
CapillaryCP Sil 5 CB240.1280.Hanai and Hong, 198930. m/0.25 mm/0.25 μm
CapillaryDB-1240.1262.Hanai and Hong, 198930. m/0.25 mm/0.25 μm
CapillaryMethyl Silicone100.1254.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1254.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1254.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1255.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1255.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1255.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1255.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1256.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1262.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1262.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillaryMethyl Silicone100.1262.Bemgård, Blomberg, et al., 1987Column diameter: 0.32 mm; Phase thickness: 0.25 μm
CapillarySE-30100.1249.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.1247.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30140.1247.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1244.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1247.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1241.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1256.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30240.1246.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.1252.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30150.1260.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedApiezon L130.1253.Nedopekina, Kovalev, et al., 1981N2, Chromatron N-AW-HMDS; Column length: 2.5 m
PackedSE-30100.1264.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedSE-30120.1262.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedSE-30140.1264.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedSE-30150.1276.Bierl, Beroza, et al., 1972Column length: 3.0 m
PackedSE-30180.1263.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11259.Smallfield, Perry, et al., 1994H2, 5. K/min; Column length: 9.5 m; Tstart: 50. C; Tend: 260. C
CapillaryOV-1011255.Tamura, Kihara, et al., 1991N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011257.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011257.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
CapillaryCP-Wax240.1724.Hanai and Hong, 198925. m/0.25 mm/0.22 μm
CapillaryDB-Wax240.1769.Hanai and Hong, 198925. m/0.25 mm/0.22 μm
CapillaryOV-351100.1746.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351120.1726.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.1760.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1759.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1753.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.1764.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.1783.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedPEG-2000179.1750.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.1740.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M130.1732.Singliar, 1972Column length: 2.55 m
PackedCarbowax 20M165.1736.Singliar, 1972Column length: 2.55 m
PackedCarbowax 20M180.1740.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPE-Wax1757.Chandravadana, Vekateshwarlu, et al., 2005N2, 60. C @ 4. min, 5. K/min, 200. C @ 5. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryPE-Wax1757.Venkateshwarlu, Chandravadana, et al., 1999N2, 60. C @ 4. min, 5. K/min, 200. C @ 5. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryDB-Wax1769.Smallfield, Perry, et al., 1994H2, 5. K/min; Column length: 30. m; Tstart: 50. C; Tend: 260. C

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1759.Brander, Kepner, et al., 1980Program: not specified
CapillaryCarbowax 20M1763.Brander, Kepner, et al., 1980Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1272.Todua, 201130. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C
CapillaryCP-Sil PONA GB1256.Cunicao, Lopes, et al., 2007100. m/0.25 mm/0.25 μm, He, 140. C @ 10. min, 5. K/min, 230. C @ 25. min
CapillaryHP-5MS1272.Saroglou, Marin, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51275.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-51275.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-51279.Mahattanatawee, Goodner, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryHP-51272.Skaltsa, Demetzos, et al., 200330. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-11255.2Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryDB-51273.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryCP Sil 5 CB1258.Pino, Marbot, et al., 200250. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB1281.Pino and Marbot, 200150. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryHP-5MS1272.Skaltsa, Mavrommati, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51272.David, Scanlan, et al., 200050. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 50. C; Tend: 290. C
CapillaryBPX-51285.Aaslyng, Elmore, et al., 199850. m/0.32 mm/0.50 μm, He, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-11259.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-51273.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-51274.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-11267.Peng, 199215. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min; Tend: 250. C
CapillaryDB-11256.9Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-11258.9Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-51269.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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1274.Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryVF-5MS1282.5Tret'yakov, 200730. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryVF-5MS1264.Carasek and Pawliszyn, 200630. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C
CapillaryBP-11254.Filippini, Tomi, et al., 2000Program: not specified
CapillaryDB-11259.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
CapillarySE-521271.Loayza, de Groot, et al., 199925. m/0.25 mm/0.25 μm, He; Program: 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C
CapillarySE-521269.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
CapillaryMethyl Silicone1267.Peng, Yang, et al., 1991Program: not specified
PackedSE-301267.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

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Column type Active phase I Reference Comment
CapillaryZB-Wax1767.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-Wax1760.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-Wax1771.Gurbuz O., Rouseff J.M., et al., 200630. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryInnowax1714.Pena, Barciela, et al., 200530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 200. C @ 2. min
CapillarySupelcowax-101763.Riu-Aumatell, Lopez-Tamames, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryZB-Wax1748.Brunton, Cronin, et al., 200260. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryAT-Wax1744.Pino, Marbot, et al., 200260. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryCarbowax 20M1745.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min
CapillaryDB-Wax1748.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1748.Shiratsuchi, Shimoda, et al., 1994, 260. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryCarbowax 20M1735.Peng, 19928. K/min, 200. C @ 60. min; Column length: 3.05 m; Tstart: 40. C
PackedCarbowax 20M1735.Peng, Yang, et al., 1991Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C
CapillaryDB-Wax1763.0Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C
CapillaryDB-Wax1764.9Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C
CapillaryCP-WAX 57CB1770.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
CapillarySupelcowax-101765.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101770.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
CapillaryDB-Wax1752.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C
CapillaryBP-201751.Filippini, Tomi, et al., 2000Program: not specified
CapillaryCarbowax 20M1726.Loayza, de Groot, et al., 199925. m/0.32 mm/0.25 μm, H2; Program: 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5120.1273.Verevkin, Krasnykh, et al., 200360. m/0.32 mm/0.25 μm, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryVF-5 MS1274.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1275.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryHP-5 MS1271.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1273.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1273.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1273.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1274.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1274.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1274.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1274.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1274.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1275.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1276.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1278.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 μm, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryElite-5 MS1274.Baharum, Bunawan, et al., 201030. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 220. C
CapillaryRTX-11263.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-51278.Monsef-Esfahani, Miri, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryHP-5 MS1272.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51272.Vahirua-Lechat, Mitermite, et al., 201030. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 2. min; Tstart: 80. C
CapillaryHP-1011255.Jerkovic, Mastelic, et al., 200725. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min; Tend: 200. C
CapillaryDB-11255.Lan Phi N.T., Nishiyama C., et al., 200660. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-51270.Nickavar B., Kamalinejad M., et al., 200630. m/0.25 mm/0.25 μm, 50. C @ 0.5 min, 2.5 K/min; Tend: 265. C
CapillarySPB-51270.Pino, Marquez, et al., 200630. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-51275.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-51275.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-51272.Pino, Marbot, et al., 200330. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
CapillaryHP-51270.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51272.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryRSL-2001263.Jirovetz, Smith, et al., 200230. m/0.25 mm/0.25 μm, H2, 40. C @ 2. min, 6. K/min, 280. C @ 10. min
CapillaryDB-51266.Limberger, Simões-Pires, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C
CapillaryHP-51272.Velickovic, Randjelovic, et al., 200230. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-51266.Mitiku, Sawamura, et al., 200030. m/0.22 mm/0.25 μm, N2, 70. C @ 2. min, 4. K/min, 230. C @ 20. min
CapillaryHP-51269.Boylston and Viniyard, 199850. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
CapillaryUltra-11254.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryOV-1011263.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011257.Sugisawa, Yamamoto, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-11255.Flath, Mon, et al., 198350. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1266.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1275.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1279.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1283.Robinson, Adams, et al., 2012Program: not specified
CapillaryRTX-11259.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5 MS1279.Dharmawan, Kasapis, et al., 200960. m/0.32 mm/1.0 μm, Helium; Program: 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min)
CapillaryBPX-51281.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51285.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryCP-Sil 5 Cb1261.Collin, Nizet, et al., 200850. m/0.32 mm/1.20 μm, Nitrogen; Program: 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
CapillaryDB-51269.Judzentiene and Budiene, 200850. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 250 0C (3 min)
CapillarySPB-11263.Bosch-Fuste, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryHP-5 MS1272.Sharififar, Mozaffarian, et al., 200730. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5 MS1272.Kawaree, Phutdhawong, et al., 200630. m/0.25 mm/0.25 μm, HGelium; Program: 40 0C (3 min) 10 0C/min -> 108 0C 3 0C/min -> 188 0C 4 0C/min -> 280 0C (5 min)
CapillaryBP-51287.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-51270.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: not specified
CapillaryBP-51281.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-51284.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-51287.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryCP-Sil5 CB MS1261.Iraqi, Vermeulen, et al., 200550. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillaryHP-51269.Riu-Aumatell, Lopez-Tamames, et al., 2005Program: not specified
CapillarySPB-51272.Crook, Boylston, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C
CapillaryMethyl Silicone1264.Fu and Wang, 2004Program: not specified
CapillarySE-301263.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxane1256.Junkes, Castanho, et al., 2003Program: not specified
CapillaryHP-51272.1David, Scanlan, et al., 200250. m/0.32 mm/1.05 μm, He; Program: not specified
CapillaryDB-11259.Figueiredo, Miguel, et al., 200130. m/0.25 mm/0.25 μm; Program: 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)
CapillaryCP Sil 5 CB1259.Weyerstahl, Marschall, et al., 1999Column length: 25. m; Column diameter: 0.39 mm; Program: not specified
CapillaryDB-11257.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-11257.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
CapillaryOV-1011263.Zenkevich and Malamakhov, 1987He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified
CapillaryOV-1011283.Zenkevich and Malamakhov, 1987He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1257.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillarySF-961249.Fagan, Kepner, et al., 1982He; Program: not specified
CapillarySF-961261.Fagan, Kepner, et al., 1982He; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1756.Feng, Cui, et al., 201160. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryRTX-Wax1729.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryDB-Wax1767.Vahirua-Lechat, Mitermite, et al., 201030. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 2. min; Tstart: 80. C
CapillaryDB-Wax1761.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
CapillaryHP-Innowax1764.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryZB-Wax1760.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1767.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax1778.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1768.Tu, Thanh, et al., 200260. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryDB-Wax1769.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax1783.Chung, Eiserich, et al., 199360. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryCarbowax 20M1723.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1766.Akin, Saracoglu, et al., 201260. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C
CapillaryInnowax FSC1766.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
CapillaryDB-Wax1753.Gyawali and Kim, 201260. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
CapillaryDB-Wax1778.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1781.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-Innowax1752.Feng, Cui, et al., 201160. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1752.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1781.Li, Tao, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)
CapillaryDB-Wax1781.Yongsheng, Hua, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min)
CapillarySupelcowax-101765.Bosch-Fuste, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryDB-Wax1781.Li, Tao, et al., 200730. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)
CapillaryCarbowax 20M1750.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax1766.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryInnowax FSC1766.Kirimer, Tabanca, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1735.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryDB-Wax1752.Peng, Yang, et al., 1991, 2Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS215.20Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS216.62Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-5216.09Rostad 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, Reaction thermochemistry data, 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.

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Lebrón-Aguilar, Eduardo Quintanilla-López, et al., 2002
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Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [all data]

Bemgård, Blomberg, et al., 1987
Bemgård, A.; Blomberg, L.; Lymann, M.; Claude, S.; Tabacchi, R., Siloxane/silarylene copolymers as stationary phases for capillary gas chromatography. Part I: Evaluation of silanol terminated dimethyl substituted polymers, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 5, 302-318, https://doi.org/10.1002/jhrc.1240100516 . [all data]

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Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5 . [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

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Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [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]

Singliar, 1972
Singliar, M., Chromatographic Behaviour and the Structure of Secondary Aliphatic Alcohols, J. Chromatogr., 1972, 65, 1, 311-321, https://doi.org/10.1016/S0021-9673(00)86946-0 . [all data]

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Brander, Kepner, et al., 1980
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Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G., Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae), J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021 . [all data]

Saroglou, Marin, et al., 2007
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Xu, van Stee, et al., 2003
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Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

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Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

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Notes

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