Propanoic acid, 2-methyl-

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Iodide + Propanoic acid, 2-methyl- = (Iodide • Propanoic acid, 2-methyl-)

By formula: I- + C4H8O2 = (I- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr16.7 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.5cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B

iPrCO2 anion + Propanoic acid, 2-methyl- = (iPrCO2 anion • Propanoic acid, 2-methyl-)

By formula: C4H7O2- + C4H8O2 = (C4H7O2- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr29.9 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr33.4cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

iPrCO2 anion + Hydrogen cation = Propanoic acid, 2-methyl-

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Δr346.0 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr339.0 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Hydrogen + 2-Propenoic acid, 2-methyl- = Propanoic acid, 2-methyl-

By formula: H2 + C4H6O2 = C4H8O2

Quantity Value Units Method Reference Comment
Δr-28.2 ± 0.3kcal/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

Water + Propanoic acid, 2-methyl-, anhydride = 2Propanoic acid, 2-methyl-

By formula: H2O + C8H14O3 = 2C4H8O2

Quantity Value Units Method Reference Comment
Δr-14.59kcal/molCmConn, Kistiakowsky, et al., 1942liquid phase; Heat of hydrolysis at 303 K; ALS

Methyl isobutyrate + Water = Methyl Alcohol + Propanoic acid, 2-methyl-

By formula: C5H10O2 + H2O = CH4O + C4H8O2

Quantity Value Units Method Reference Comment
Δr-14.72 ± 0.24kcal/molEqkGuthrie and Cullimore, 1980liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering data, 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
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C4H8O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.24 ± 0.12eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.12EIHolmes and Lossing, 1980LLK
10.329 ± 0.005PIWatanabe, Yokoyama, et al., 1974LLK
10.33PEWatanabe, Yokoyama, et al., 1973LLK
10.33 ± 0.03PEThomas, 1972LLK
10.02 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
10.30PESustmann and Trill, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO2+11.28C3H7EIHolmes, Lossing, et al., 1991LL

De-protonation reactions

iPrCO2 anion + Hydrogen cation = Propanoic acid, 2-methyl-

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Δr346.0 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr339.0 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

iPrCO2 anion + Propanoic acid, 2-methyl- = (iPrCO2 anion • Propanoic acid, 2-methyl-)

By formula: C4H7O2- + C4H8O2 = (C4H7O2- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr29.9 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr33.4cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Iodide + Propanoic acid, 2-methyl- = (Iodide • Propanoic acid, 2-methyl-)

By formula: I- + C4H8O2 = (I- • C4H8O2)

Quantity Value Units Method Reference Comment
Δr16.7 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.5cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B

Gas Chromatography

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1574.Umano, Shoji, et al., 1986N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5792.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min
CapillaryHP-5MS785.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5790.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-5793.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryCP-Sil 8CB-MS765.Bruna, Hierro, et al., 200360. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryCP Sil 5 CB732.Pino, Marbot, et al., 200150. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryDB-1723.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5MS738.Tretyakov, 201130. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryDB-1752.Place, Imhof, et al., 200360. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
CapillarySE-54793.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillarySE-54789.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (2min) => 240C (10min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1581.Botelho, Caldeira, et al., 200730. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 3.5 K/min, 180. C @ 25. min
CapillaryInnowax1584.Botelho, Caldeira, et al., 200730. m/0.25 mm/0.25 μm, H2, 45. C @ 5. min, 3.5 K/min, 210. C @ 20. min
CapillaryHP-Innowax1544.Quijano, Linares, et al., 200760. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
CapillaryDB-Wax1544.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryLM-1201585.Pinto, Guedes, et al., 200650. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; Tstart: 50. C
CapillaryOV-3511539.Bonvehí, 200550. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-FFAP1554.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min
CapillaryStabilwax1588.Fang and Qian, 200530. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax1587.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryCarbowax 20M1549.Verzera, Campisi, et al., 200560. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-Wax1588.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1579.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1585.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax1520.Avsar, Karagul-Yuceer, et al., 200430. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillaryZB-Wax1572.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillaryDB-Wax1580.Mahajan, Goddik, et al., 200430. m/0.25 mm/0.5 μm, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryDB-Wax Etr1556.Ménager, Jost, et al., 200430. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1555.Aubert, Günata, et al., 200330. m/0.32 mm/0.5 μm, 40. C @ 3. min, 2. K/min, 245. C @ 20. min
CapillaryDB-FFAP1520.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-FFAP1547.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillarySupelcowax-101571.Moreira, Trugo, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 30. min; Tstart: 50. C
CapillaryDB-Wax1556.Karagül-Yüceer, Drake, et al., 200130. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryAT-Wax1556.Pino, Marbot, et al., 200160. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryCP-Wax 52CB1549.Verzera, Campisi, et al., 200160. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-FFAP1573.Charles, Martin, et al., 200030. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min; Tend: 240. C
CapillaryDB-Wax1575.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1576.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1564.Cha, Kim, et al., 199860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax1575.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1576.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1575.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryFFAP1567.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillaryDB-Wax1574.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1571.Shimoda, Wu, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1558.Frauendorfer and Schieberle, 200625. m/0.32 mm/0.2 μm, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C
CapillaryDB-Wax1584.Selli, Canbas, et al., 200630. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax1584.Selli, Canbas, et al., 2006, 230. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min)
CapillaryFFAP1595.Ranau and Steinhart, 200560. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
CapillaryDB-Wax1556.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C
CapillaryDB-Wax1584.Selli, Cabaroglu, et al., 200430. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryCarbowax 20M1608.Boido, Lloret, et al., 200325. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C
CapillaryDB-Wax1553.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillaryDB-FFAP1562.Rychlik and Bosset, 200130. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C
CapillaryDB-Wax1570.Ziegleder, 2001He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min)
CapillaryFFAP1571.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillaryFFAP1565.Kubícková and Grosch, 199730. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min)
CapillaryFFAP1548.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (2min) => 240C (10min)
CapillaryFFAP1578.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
CapillaryVF-5 MS774.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS779.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryHP-5 MS758.Pino, Marquez, et al., 201030. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min
CapillaryHP-5 MS753.Radulovic, Blagojevic, et al., 200930. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryRTX-5738.Berdague, Tournayre, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
Capillary5 % Phenyl methyl siloxane758.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillarySPB-5744.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-5803.9Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryMDN-5797.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
CapillaryMDN-5775.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-5790.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
CapillaryHP-5793.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-5793.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryOV-101780.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillarySPB-5741.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryRSL-200739.Ngassoum, Jirovetz, et al., 200130. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryDB-5775.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-5775.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryBP-5796.Lopez, Ferreira, et al., 199950. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C
CapillaryDB-5753.Kondjoyan, Viallon, et al., 199760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
CapillaryDB-1723.Robacker and Bartelt, 199730. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS758.Pino, Marquez, et al., 201030. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryCP-Sil 5 Cb731.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)
CapillaryCP-Sil5 CB MS731.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-5757.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5757.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillarySE-30756.Vinogradov, 2004Program: not specified
CapillarySPB-5744.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryHP-5MS790.Martí, Mestres, et al., 200330. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)
CapillaryHP-5767.Timón, Ventanas, et al., 199850. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
CapillaryDB-5770.Mateo, Aguirrezábal, et al., 199750. m/0.32 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)
CapillaryDB-5765.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5758.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP1586.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax1552.Onishi, Inoue, et al., 201160. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 20. min
CapillaryFFAP1546.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryVF-Wax MS1579.Duarte, Dias, et al., 201060. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 3. K/min, 220. C @ 25. min
CapillaryHP-Innowax1585.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryCP-Wax 52CB1570.Audino, Alzogaray, et al., 2007He, 50. C @ 2. min, 6. K/min, 220. C @ 20. min; Column length: 30. m; Phase thickness: 0.32 μm
CapillaryCP-Wax 52CB1572.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryRTX-Wax1552.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-Wax1555.Xu, Fan, et al., 200730. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
CapillaryDB-Wax1555.Fan and Qian, 200630. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax1585.Fan and Qian, 2006, 230. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
CapillaryDB-Wax1561.Kishimoto, Wanikawa, et al., 200615. m/0.32 mm/0.25 μm, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C
CapillaryHP-Innowax1553.Komes, Ulrich, et al., 200630. m/0.25 mm/0.5 μm, He, 40. C @ 3. min, 2. K/min, 200. C @ 15. min
CapillaryDB-Wax1572.Fan and Qian, 200530. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
CapillaryCarbowax 20M1569.de la Fuente, Martinez-Castro, et al., 200550. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
CapillaryStabilwax DA1592.Nogueira, Lubachevsky, et al., 200560. m/0.25 mm/0.5 μm, 40. C @ 5. min, 5. K/min; Tend: 180. C
CapillaryZB-Wax1571.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1575.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1579.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1585.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1579.Wu, Krings, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillaryDB-Wax1588.Culleré, Escudero, et al., 200430. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryHP-Innowax1584.Soria, Gonzalez, et al., 200450. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryDB-Wax1583.Alves and Franco, 200330. m/0.25 mm/0.5 μm, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-Wax1557.Lee and Noble, 200330. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
CapillaryDB-Wax1588.López, Ortín, et al., 200330. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryTC-Wax1555.Miyazawa and Okuno, 2003He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-Wax1570.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1571.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillarySupelcowax-101565.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryHP-FFAP1586.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax1588.Ferreira, Ortín, et al., 200230. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryFFAP1535.Lecanu, Ducruet, et al., 200230. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryHP-FFAP1535.Qian and Reineccius, 200225. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryDB-Wax1554.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax1584.Aznar, López, et al., 200130. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryDB-Wax1584.Ferreira, Aznar, et al., 200130. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryDB-Wax1535.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax1565.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1565.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1524.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1535.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryCarbowax 20M1568.Lopez, Ferreira, et al., 199960. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C
CapillaryDB-Wax1560.Buttery and Ling, 199830. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillarySupelcowax-101587.Campeanu, Burcea, et al., 199860. m/0.32 mm/0.5 μm, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min
CapillaryHP-Innowax1551.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryDB-Wax1553.Parada and Duque, 199830. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1561.Parada and Duque, 199830. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1576.Wada and Shibamoto, 1997He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C
CapillaryTC-Wax1578.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryCarbowax 20M1535.Kawakami, Kobayashi, et al., 1993He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillarySupelcowax-101579.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; Tend: 175. C
CapillaryCarbowax 20M1560.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1570.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryFFAP1555.Vernin, Metzger, et al., 1988He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C
CapillaryCarbowax 20M1560.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1570.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryEC-10001600.Delabre and Bendall, 9999Program: not specified
CapillaryDB-Wax1566.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1568.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryCP-Wax 52 CB1573.Povolo, Cabassi, et al., 2011Program: not specified
CapillaryDB-Wax1566.Sampaio, Garruti, et al., 201130. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)
CapillaryDB-Wax1533.Parker, Tsormpatsidis, et al., 2010Program: not specified
CapillaryStabilwax1577.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillaryPolyethylene glycol (Free Fatty Acid Phase)1564.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)1570.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)1571.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryFFAP1538.Frauendorfer and Schieberle, 2008Helium; Program: not specified
CapillaryDB-Wax1618.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)
CapillaryDB-FFAP1563.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryDB-Wax1568.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
CapillaryHP-Innowax1597.Weldegergis B.T., Tredoux A.G.J., et al., 200730. m/0.25 mm/0.5 μm, He; Program: 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min)
CapillaryDB-Wax1566.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryDB-Wax1568.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryCarbowax 20M1549.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M1571.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M1594.Vinogradov, 2004Program: not specified
CapillaryCP-WAX 57CB1565.Martí, Mestres, et al., 200350. m/0.25 mm/0.2 μm, He; Program: 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min)
CapillaryTRWAX1590.Torrens, 200260. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryDB-Wax1563.Mayorga, Knapp, et al., 200130. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
CapillaryDB-Wax1569.Mayorga, Knapp, et al., 200130. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
CapillaryInnowax1591.Özcan, Akgül, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C
CapillaryFFAP1560.Lambert, Demazeau, et al., 199930. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-Wax1570.Ziegleder, 1998He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min)
CapillaryDB-FFAP1557.Guth, 199730. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
CapillaryFFAP1561.Schieberle and Grosch, 1994He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C(2min) => 4C/min => 240C

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

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

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Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References