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Benzeneacetic acid

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Condensed phase thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltacsolid-931.33 ± 0.19kcal/molCcbWrede, 1911Corresponding «DELTA»fsolid = -94.34 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-931.5kcal/molCcbAuwers and Roth, 1910Corresponding «DELTA»fsolid = -94.2 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-933.4kcal/molCcbFischer and Wrede, 1904Heat of combustion corrected for pressure; Corresponding «DELTA»fsolid = -92.3 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-934.5kcal/molCcbLemoult, 1904Corresponding «DELTA»fsolid = -91.1 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil538.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus348.KN/AHenne and Hill, 1943Uncertainty assigned by TRC = 2. K; TRC
Tfus349.15KN/AAdams and Marshall, 1928Uncertainty assigned by TRC = 1. K; TRC
Tfus350.KN/ARobertson, 1902Uncertainty assigned by TRC = 2. K; TRC
Tfus348.05KN/ABruner, 1894Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Deltavap18.9 ± 0.07kcal/molGSRoux *, Temprado, et al., 2004Based on data from 353. - 392. K.; AC
Quantity Value Units Method Reference Comment
Deltasub22.3 ± 0.07kcal/molGSRoux *, Temprado, et al., 2004Based on data from 307. - 339. K.; AC
Deltasub23.7 ± 0.1kcal/molMEMonte and Hillesheim, 2001Based on data from 305. - 321. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.5385.AStephenson and Malanowski, 1987Based on data from 370. - 539. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
23.6 ± 0.1313.MEMonte and Hillesheim, 2001Based on data from 305. - 321. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.63349.2N/AGracin and Rasmuson, 2002AC
3.94350.8N/AMonte and Hillesheim, 2001AC
3.463349.9DSCAcree, 1991There is a large discrepancy between the value of 32.0 kJ/mole and the other reported literature values. Reference Sharma, Kant, et al., 2003 quotes a literature value of 32.0 kJ/mole; however, the authors do not provide the source of the cited literature value.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

Data compiled 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

C8H7O2- + Hydrogen cation = Benzeneacetic acid

By formula: C8H7O2- + H+ = C8H8O2

Quantity Value Units Method Reference Comment
Deltar341.5 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Deltar341.1 ± 2.1kcal/molG+TSJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar334.5 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Deltar334.1 ± 2.0kcal/molIMREJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C8H8O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.26eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
~8.26PEKlasinc, Kovac, et al., 1983LBLHLM
8.26PEMeeks, Wahlborg, et al., 1981LLK
8.72PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
9.1PEMeeks, Wahlborg, et al., 1981Vertical value; LLK

De-protonation reactions

C8H7O2- + Hydrogen cation = Benzeneacetic acid

By formula: C8H7O2- + H+ = C8H8O2

Quantity Value Units Method Reference Comment
Deltar341.5 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar341.1 ± 2.1kcal/molG+TSJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar334.5 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar334.1 ± 2.0kcal/molIMREJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
NIST MS number 352514

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Meiggs and Miller, 1972
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 16425
Instrument Beckman DK-2a
Melting point 75.5-76.5

Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-101200.1269.Macek and Smolková-Keulemansová, 1985N2, Chromosorb W HP (100-120 mesh); Column length: 2. m

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1254.Jarunrattanasri, Theerakulkait, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
CapillarySE-541276.Schlutt B., Moran N., et al., 2007He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryDB-51262.Steinhaus and Schieberle, 200730. m/0.32 mm/0.25 «mu»m, 40. C @ 2. min, 6. K/min, 240. C @ 10. min
CapillaryDB-11251.Osorio, Alarcon, et al., 200625. m/0.2 mm/0.33 «mu»m, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5MS1248.Schwambach and Peterson, 200630. m/0.25 mm/0.25 «mu»m, H2, 30. C @ 2. min, 2. K/min, 250. C @ 2. min
CapillaryDB-51263.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryDB-51255.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 «mu»m, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min
CapillaryDB-5MS1265.Whetstine, Cadwallader, et al., 200530. m/0.25 mm/0.25 «mu»m, 40. C @ 3. min, 10. K/min, 200. C @ 20. min
CapillaryDB-51246.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-51248.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-5MS1265.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-51274.Valim, Rouseff, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 7. K/min; Tstart: 40. C; Tend: 275. C
CapillaryDB-51263.Zhou, Wintersteen, et al., 200215. m/0.32 mm/0.5 «mu»m, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
CapillaryDB-51265.Karagül-Yüceer, Drake, et al., 200130. m/0.32 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
PackedSE-301240.Peng, Ding, et al., 1988He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1246.2Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryVF-5MS1265.9Tret'yakov, 200830. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillarySE-541262.Schuh and Schieberle, 200630. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillaryDB-51256.Klesk, Qian, et al., 200430. m/0.32 mm/1. «mu»m, He; Program: 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryDB-51267.Jezussek, Juliano, et al., 200230. m/0.32 mm/0.25 «mu»m, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillarySE-541265.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillarySE-541263.Derail, Hofmann, et al., 199930. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 50C => 4C/min => 230C (10min)
CapillarySE-541262.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 «mu»m, 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-FFAP2565.Jarunrattanasri, Theerakulkait, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
CapillaryDB-FFAP2561.Jarunrattanasri, Theerakulkait, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
CapillaryFFAP2585.Schlutt B., Moran N., et al., 2007He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm
CapillaryFFAP2540.Steinhaus and Schieberle, 200730. m/0.32 mm/0.25 «mu»m, 40. C @ 2. min, 6. K/min, 240. C @ 10. min
CapillaryDB-Wax2543.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-FFAP2569.Schwambach and Peterson, 200630. m/0.25 mm/0.25 «mu»m, H2, 30. C @ 2. min, 3. K/min, 230. C @ 4. min
CapillaryDB-FFAP2581.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 «mu»m, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min
CapillaryStabilwax2556.Fang and Qian, 200530. m/0.32 mm/1. «mu»m, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax2569.00Whetstine, Cadwallader, et al., 200530. m/0.25 mm/0.25 «mu»m, 40. C @ 3. min, 10. K/min, 200. C @ 20. min
CapillaryDB-Wax2578.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax2581.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax2589.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax2590.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-FFAP2548.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax2574.Valim, Rouseff, et al., 200330. m/0.32 mm/0.5 «mu»m, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryDB-FFAP2519.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-FFAP2540.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillarySupelcowax-102578.Moreira, Trugo, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 230. C @ 30. min; Tstart: 50. C
CapillaryDB-FFAP2555.Zhou, Wintersteen, et al., 200215. m/0.32 mm/0.25 «mu»m, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
CapillaryHP-Innowax2569.Adamiec, Rossner, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax2568.Karagül-Yüceer, Drake, et al., 200130. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-FFAP2573.Charles, Martin, et al., 200030. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 2. min, 5. K/min; Tend: 240. C
CapillaryDB-Wax2521.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 «mu»m, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryCP-WAX 57CB2568.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP2554.Frauendorfer and Schieberle, 200625. m/0.32 mm/0.2 «mu»m, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C
CapillaryFFAP2582.Schuh and Schieberle, 200630. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillaryFFAP2561.Fritsch and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
CapillaryFFAP2557.Jezussek, Juliano, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillaryFFAP2570.Kirchhoff and Schieberle, 200230. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
CapillaryFFAP2570.Kirchhoff and Schieberle, 200230. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
CapillaryDB-Wax2530.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillaryFFAP2570.Kirchhoff and Schieberle, 200130. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)
CapillaryDB-FFAP2569.Rychlik and Bosset, 200130. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C
CapillaryFFAP2595.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillaryFFAP2550.Derail, Hofmann, et al., 199930. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)
CapillaryFFAP2550.Derail, Hofmann, et al., 199930. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1269.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1269.Jerkovic and Marijanovic, 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1269.Jerkovic, Tuberso, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1270.Pino, Marquez, et al., 201030. m/0.32 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min
CapillarySE-541262.Laselan, Buettner, et al., 200930. m/0.32 mm/0.25 «mu»m, 0. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-5 MS1252.Radulovic, Blagojevic, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryBPX51279.Boustie, Rapior, et al., 200525. m/0.20 mm/0.13 «mu»m, He, 50. C @ 2. min, 3. K/min; Tend: 230. C
CapillaryHP-51251.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-51257.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-51257.Wu, Krings, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillaryDB-51257.Wu, Krings, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillaryAT-11252.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryDB-5MS1262.Suriyaphan, Drake, et al., 200130. m/0.32 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 195. C @ 40. min
CapillaryHP-11236.Ong and Acree, 19994. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 35. C; Tend: 250. C
CapillaryHP-11236.Ong and Acree, 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryHP-11236.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryBPX-51264.D'Arcy, Rintoul, et al., 199750. m/0.22 mm/0.25 «mu»m, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1268.Pino, Marquez, et al., 201030. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySE-541262.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 «mu»m, Helium; Program: 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C
CapillaryDB-51262.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillarySE-541262.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 «mu»m; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryHP-5MS1276.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
CapillarySE-541262.Buettner, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryMFE-731249.Escudero, Gogorza, et al., 2004Program: not specified
CapillaryMFE-731249.Ferreira, Ortín, et al., 2002H2; Program: not specified
CapillaryMFE-731249.Aznar, López, et al., 200130. m/0.32 mm/0.1 «mu»m, H2; Program: 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min)
CapillaryMFE-731249.Ferreira, Aznar, et al., 200130. m/0.32 mm/0.1 «mu»m, H2; Program: 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min)
CapillaryCP Sil 5 CB1233.Lermusieau, Bulens, et al., 200150. m/0.32 mm/1.2 «mu»m; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
CapillaryCP Sil 5 CB1230.Guyot, Scheirman, et al., 1999He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryCP Sil 5 CB1212.Guyot, Bouseta, et al., 199850. m/0.32 mm/1.2 «mu»m, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillarySE-541262.Schermann and Schieberle, 199730. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2528.Onishi, Inoue, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 20. min
CapillaryFFAP2545.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryDB-Wax2553.Kumazawa, Sakai, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryCP Wax 52 CB2560.Birtic, Ginies, et al., 200930. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryFFAP2551.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 6. K/min; Tend: 240. C
CapillaryRTX-Wax2539.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-Wax2550.Xu, Fan, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
CapillaryDB-Wax2550.Fan and Qian, 200630. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax Etr2578.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
CapillaryZB-Wax2592.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax2601.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax2601.Wu, Krings, et al., 200530. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 2. min, 5. K/min, 230. C @ 15. min
CapillaryDB-Wax2585.Culleré, Escudero, et al., 200430. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax2575.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax2597.López, Ortín, et al., 200330. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-FFAP2548.Czerny and Schieberle, 200230. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min
CapillaryDB-FFAP2548.Czerny and Schieberle, 200230. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min
CapillaryDB-Wax2585.Ferreira, Ortín, et al., 200230. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax2571.Aznar, López, et al., 200130. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryEC-10002565.Bendall, 200130. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min
CapillaryDB-Wax2571.Ferreira, Aznar, et al., 200130. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryDB-FFAP2569.Suriyaphan, Drake, et al., 200130. m/0.32 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 195. C @ 40. min
CapillaryDB-Wax2546.Wei, Mura, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax2534.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 «mu»m, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2534.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 «mu»m, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2550.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryHP-Innowax2568.Ong and Acree, 19994. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 35. C; Tend: 250. C
CapillaryHP-Innowax2568.Ong and Acree, 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryHP-Innowax2568.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryTC-Wax2610.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2560.Sampaio, Garruti, et al., 201130. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)
CapillaryStabilwax2574.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillaryFFAP2519.Frauendorfer and Schieberle, 2008Helium; Program: not specified
CapillarySOLGel-Wax2566.Shu and Shen, 200830. m/0.53 mm/0.50 «mu»m, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min)
CapillarySOLGel-Wax2564.Shu and Shen, 200830. m/0.53 mm/0.50 «mu»m, Helium; Program: not specified
CapillaryDB-FFAP2551.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryDB-FFAP2577.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 «mu»m; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryDB-Wax2553.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 «mu»m, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryDB-Wax2553.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 «mu»m, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryCP-Wax 58CB2548.Tokitomo, Steihaus, et al., 200525. m/0.32 mm/0.20 «mu»m, Helium; Program: 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)
CapillaryDB-FFAP2551.Buettner, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryDB-Wax2585.Escudero, Gogorza, et al., 2004Program: not specified
CapillaryFFAP2538.Zehentbauer and Grosch, 199825. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C
CapillaryFFAP2555.Schieberle and Grosch, 1994He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C(2min) => 4C/min => 240C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone216.16Eckel, Ross, et al., 1993Program: not specified

References

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

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

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Notes

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