Pentanoic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-491. ± 20.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
gas439.82 ± 0.63J/mol*KN/AMcDougall L.A., 1965GT

Condensed phase thermochemistry data

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-558.9 ± 0.7kJ/molCcbAdriaanse, Dekker, et al., 1965DRB
Δfliquid-560.24 ± 0.67kJ/molCcbLebedeva, 1964ALS
Δfliquid-560.2 ± 0.7kJ/molCcbLebedeva, 1964DRB
Δfliquid-546.6 ± 5.9kJ/molCcbHancock, Watson, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -548. kJ/mol; ALS
Δfliquid-563.3 ± 1.3kJ/molCcbSchjanberg, 1937DRB
Quantity Value Units Method Reference Comment
Δcliquid-2837.8 ± 0.7kJ/molCcbAdriaanse, Dekker, et al., 1965Corresponding Δfliquid = -558.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2836.5 ± 0.67kJ/molCcbLebedeva, 1964Corresponding Δfliquid = -560.15 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2850.1 ± 5.9kJ/molCcbHancock, Watson, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -2850. kJ/mol; Corresponding Δfliquid = -546.56 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2833.4 ± 1.3kJ/molCcbSchjanberg, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -2831. ± 4.2 kJ/mol; At 20 C; Corresponding Δfliquid = -563.29 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid259.83J/mol*KN/AMcDougall and Kilpatrick, 1965DH
Quantity Value Units Method Reference Comment
Δcsolid-2838.8kJ/molCcbSkuratov and Bonetskaya, 1966Corresponding Δfsolid = -557.94 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
197.298.15Konicek and Wadso, 1971DH
210.33298.15McDougall and Kilpatrick, 1965T = 15 to 300 K.; DH

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil459. ± 2.KAVGN/AAverage of 33 out of 40 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus239.7KN/AAdriaanse, Dekker, et al., 1964Uncertainty assigned by TRC = 0.1 K; TRC
Tfus238.7KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Tfus238.65KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple239.49KN/AMcDougall and Kilpatrick, 1965, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc644. ± 10.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc36.30barN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 0.30 bar; TRC
Pc36.28barN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.40 bar; TRC
Pc36.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 1.00 bar; TRC
Pc35.644barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
ρc2.94mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap65. ± 5.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
57.9388.EBAmbrose and Ghiassee, 1987, 2Based on data from 373. - 465. K.; AC
58.0390.AStephenson and Malanowski, 1987Based on data from 375. - 523. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
345.6 - 446.93.2075879.771-172.237Kahlbaum, 1883Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
14.1616239.49McDougall and Kilpatrick, 1965DH
14.16239.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
59.13239.49McDougall and Kilpatrick, 1965DH

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


Reaction thermochemistry data

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

Data compiled as indicated in comments:
B - John E. Bartmess
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

C5H9O2- + Hydrogen cation = Pentanoic acid

By formula: C5H9O2- + H+ = C5H10O2

Quantity Value Units Method Reference Comment
Δr1449. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Δr1448. ± 10.kJ/molG+TSMcLuckey, Cameron, et al., 1981gas phase; B
Quantity Value Units Method Reference Comment
Δr1419. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Δr1419. ± 9.6kJ/molCIDCMcLuckey, Cameron, et al., 1981gas phase; B

2Hydrogen + 3-Pentynoic acid = Pentanoic acid

By formula: 2H2 + C5H6O2 = C5H10O2

Quantity Value Units Method Reference Comment
Δr-275. ± 5.0kJ/molChydFlitcroft and Skinner, 1958liquid phase; ALS

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
2200.6900.QN/A
2200.6583.MN/A

Gas phase ion energetics data

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

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

Ionization energy determinations

IE (eV) Method Reference Comment
10.53PEWatanabe, Yokoyama, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4O2+10.8 ± 0.1C3H6EIAudier, Milliet, et al., 1985LBLHLM
C2H5O2+10.4 ± 0.1C3H5EIAudier, Milliet, et al., 1985LBLHLM
C2H402+10.56 ± 0.05C3H6EIHolmes and Lossing, 1980LLK
C2H402+10.56C3H6EIHolmes and Lossing, 1980, 2LLK

De-protonation reactions

C5H9O2- + Hydrogen cation = Pentanoic acid

By formula: C5H9O2- + H+ = C5H10O2

Quantity Value Units Method Reference Comment
Δr1449. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Δr1448. ± 10.kJ/molG+TSMcLuckey, Cameron, et al., 1981gas phase; B
Quantity Value Units Method Reference Comment
Δr1419. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Δr1419. ± 9.6kJ/molCIDCMcLuckey, Cameron, et al., 1981gas phase; 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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled 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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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291398

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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
PackedE-301170.883.Shashkova, Znamenskaia, et al., 1969He, Celite 545 (0.20-0.50 mm); Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1685.Nishimura, Yamaguchi, et al., 19892. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillarySPB-5879.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5MS925.Whetstine, Cadwallader, et al., 200530. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min
CapillaryDB-5933.Avsar, Karagul-Yuceer, et al., 200430. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillarySPB-5894.Píno, Marbot, et al., 200430. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-5921.Pino, Marbot, et al., 200430. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5MS908.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-5921.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.32 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-5902.Karagül-Yüceer, Drake, et al., 200130. m/0.32 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS933.3Tret'yakov, 200830. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillarySE-54911.Schuh and Schieberle, 200630. m/0.32 mm/0.25 μm; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillaryDB-5926.Jezussek, Juliano, et al., 200230. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillaryDB-1938.Eri, Khoo, et al., 200060. m/0.25 mm/0.25 μm, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C
CapillaryDB-1894.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
CapillaryMethyl Silicone925.Peng, Yang, et al., 1991Program: not specified
PackedSE-30924.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
CapillaryDB-FFAP1733.Jarunrattanasri, Theerakulkait, et al., 200730. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
CapillaryDB-Wax1744.Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryHP-Innowax1734.Quijano, Linares, et al., 200760. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
CapillaryFFAP1723.Steinhaus and Schieberle, 200730. m/0.32 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 240. C @ 10. min
CapillaryInnowax1730.Lee, Lee, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 230. C @ 20. min
CapillaryOV-3511725.Bonvehí, 200550. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-101686.Chung, Fung, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryDB-Wax1762.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax1713.Whetstine, Cadwallader, et al., 200530. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min
CapillaryDB-Wax1720.Avsar, Karagul-Yuceer, et al., 200430. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillaryDB-Wax1720.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-Wax1746.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-Wax1755.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-FFAP1718.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryZB-Wax1708.Brunton, Cronin, et al., 200260. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-FFAP1720.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-FFAP1719.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-Wax1756.Karagül-Yüceer, Drake, et al., 200130. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax1749.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1750.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1780.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryFFAP1757.Stephan and Steinhart, 199960. m/0.25 mm/0.5 μm, 50. C @ 3. min, 5. K/min, 230. C @ 15. min
CapillaryDB-Wax1749.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1750.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1749.Moio and Addeo, 199830. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1736.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
PackedCarbowax 20M1706.Peng, Yang, et al., 1991Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C
CapillaryCarbowax 20M1729.Chen, Kuo, et al., 1986He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillaryFFAP1730.Schuh and Schieberle, 200630. m/0.32 mm/0.25 μm; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C
CapillaryFFAP1766.Ranau and Steinhart, 200560. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
CapillaryDB-Wax1729.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C
CapillaryCP-Wax 52CB1745.Verzera, Ziino, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-Wax1734.Pennarun, Prost, et al., 200330. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C
CapillaryFFAP1724.Jezussek, Juliano, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillaryFFAP1732.Kirchhoff and Schieberle, 200230. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
CapillaryFFAP1732.Kirchhoff and Schieberle, 200230. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
CapillaryDB-Wax1734.Pennarun, Prost, et al., 200230. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C
CapillaryDB-Wax1719.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillaryFFAP1732.Kirchhoff and Schieberle, 200130. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)
CapillaryDB-Wax1753.Ziegleder, 2001He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min)
CapillaryDB-FFAP1708.Munk, Munch, et al., 200030. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)
CapillaryFFAP1707.Jagella and Grosch, 199930. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 60C => 6C/min => 230C
CapillaryFFAP1743.Kubícková and Grosch, 199730. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min)
CapillaryFFAP1723.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (2min) => 240C (10min)
CapillaryFFAP1752.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

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Column type Active phase I Reference Comment
CapillaryVF-5 MS897.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS898.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryHP-5887.Mildner-Szkudlarz and Jelen, 200810. m/0.10 mm/0.40 μm, Helium, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
CapillaryRTX-5920.Pham, Schilling, et al., 200830. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 20. K/min; Tend: 250. C
CapillaryHP-5MS893.Krist, Stuebiger, et al., 200530. m/0.25 mm/0.25 μm, 38. C @ 1. min, 5. K/min, 220. C @ 2. min
CapillaryHP-5906.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-5906.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-5906.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary5 % Phenyl methyl siloxane893.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryMDN-5922.Mildner-Szkudlarz, Jelen, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
CapillarySPB-5867.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryAT-1931.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryDB-5911.Czerny and Grosch, 200030. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 5. min
CapillaryHP-5875.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryOV-101904.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-1880.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryUltra-2892.King, Matthews, et al., 199550. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryUltra-2934.King, Hamilton, et al., 199350. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS875.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS884.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySE-54911.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C
CapillaryRTX-5 MS928.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
CapillaryRTX-5 MS911.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5879.Pugliese, Sirtori, et al., 200950. m/0.32 mm/1.05 μm, Helium; Program: not specified
CapillaryDB-5911.Buettner, 200730. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillarySE-54911.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryHP-5MS915.Mallia, Escher, et al., 2007Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups921.Pino, Marbot, et al., 2005Program: not specified
CapillaryHP-5878.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5878.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-30900.Vinogradov, 2004Program: not specified
CapillarySPB-5872.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryBPX-5904.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)
CapillaryHP-5881.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)
CapillarySE-54911.Schermann and Schieberle, 199730. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
CapillaryDB-1888.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1888.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
CapillarySE-54885.Um, Bailey, et al., 1992He; Column length: 50. m; Column diameter: 0.32 mm; Program: 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C
CapillarySE-54900.Suzuki and Bailey, 1985Column length: 50. m; Column diameter: 0.32 mm; Program: 35C(5min) => 8C/min => 200C => 2C/min => 250C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1716.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryDB-Wax1733.Kumazawa, Sakai, et al., 201030. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryFFAP1720.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 6. K/min; Tend: 240. C
CapillaryHP-20M1755.Blazevic and Mastelic, 200850. m/0.25 mm/0.25 μm, Helium, 70. C @ 4. min, 4. K/min; Tend: 180. C
CapillaryHP-20M1770.Blazevic and Mastelic, 200850. m/0.25 mm/0.25 μm, Helium, 70. C @ 4. min, 4. K/min; Tend: 180. C
CapillaryCP-Wax 52CB1751.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-Wax1718.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryBP-201756.Rawat, Gulati, et al., 200730. m/0.25 mm/0.25 μm, He, 70. C @ 4. min, 4. K/min, 220. C @ 5. min
CapillaryDB-Wax1727.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-Wax1727.Fan and Qian, 200630. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax1753.Fan and Qian, 2006, 230. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
CapillaryZB-Wax1756.Wierda R.L., Fletcher G., et al., 200660. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 3. K/min, 250. C @ 10. min
CapillaryDB-Wax1751.Fan and Qian, 200530. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
CapillaryStabilwax DA1766.Nogueira, Lubachevsky, et al., 200560. m/0.25 mm/0.5 μm, 40. C @ 5. min, 5. K/min; Tend: 180. C
CapillaryDB-Wax1743.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax1730.Lee and Noble, 200330. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
CapillaryDB-Wax1741.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1741.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-FFAP1726.Czerny and Schieberle, 200230. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min
CapillaryDB-FFAP1726.Czerny and Schieberle, 200230. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min
CapillaryDB-Wax1712.Fu, Yoon, et al., 200230. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
CapillaryFFAP1700.Lecanu, Ducruet, et al., 200230. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryHP-FFAP1698.Qian and Reineccius, 200225. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryTC-Wax1738.Suhardi, Suzuki, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min
CapillaryEC-10001740.Bendall, 200130. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min
CapillaryDB-FFAP1723.Suriyaphan, Drake, et al., 200130. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 195. C @ 40. min
CapillaryFFAP1725.Czerny and Grosch, 200030. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 5. min
CapillaryDB-Wax1743.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-Wax1730.Buttery, Orts, et al., 199930. C @ 4. min, 2. K/min, 170. C @ 60. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryDB-Wax1730.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax1733.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax1730.Buttery and Ling, 199830. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-Wax1740.Sekiwa, Kubota, et al., 1997He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryTC-Wax1749.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryDB-Wax1736.Christensen and Reineccius, 199530. m/0.25 mm/0.25 μm, 20. C @ 1. min, 5. K/min; Tend: 230. C
CapillaryCarbowax 20M1689.Kawakami, Ganguly, et al., 199560. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryCarbowax 20M1698.Kawakami, Kobayashi, et al., 1993He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryCarbowax 20M1689.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillarySupelcowax-101747.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; Tend: 175. C
CapillaryCarbowax 20M1720.Buttery, Ling, et al., 198350. C @ 30. 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
CapillaryDB-Wax1737.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-Wax1750.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1768.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySOLGel-Wax1734.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillarySOLGel-Wax1734.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryStabilwax1748.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)1733.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)1738.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)1745.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryDB-FFAP1740.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
CapillaryDB-FFAP1721.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1721.Tao, Wenlai, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
CapillaryDB-FFAP1720.Buettner, 200730. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryDB-FFAP1720.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)
CapillaryHP-Innowax1772.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-Wax1746.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryDB-Wax1731.Steinhaus and Schieberle, 200530. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
CapillaryCarbowax 20M1763.Vinogradov, 2004Program: not specified
CapillaryNukol1747.López and Dufour, 2001N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min)
CapillaryFFAP1720.Zehentbauer and Grosch, 199825. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C
CapillaryDB-Wax1753.Ziegleder, 1998He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min)
CapillaryFFAP1721.Schermann and Schieberle, 199730. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
CapillaryFFAP1732.Schieberle and Grosch, 1994He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C(2min) => 4C/min => 240C
CapillaryStabilwax DA1747.Henderson and Henderson, 199215. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryDB-Wax1706.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-5137.0Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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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Adriaanse, Dekker, et al., 1965
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McDougall and Kilpatrick, 1965
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Notes

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