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Cyclohexanone

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Gas 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-231.1 ± 0.88kJ/molCmWiberg, Crocker, et al., 1991ALS
Deltafgas-225.7kJ/molEqkKabo, Yursha, et al., 1988ALS
Deltafgas-227.7 ± 1.9kJ/molCcbWolf, 1972ALS
Deltafgas-226.3kJ/molCcbSellers and Sunner, 1962ALS
Quantity Value Units Method Reference Comment
gas335.53J/mol*KN/AKabo G.J., 1988GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
121.06298.15Kabo G.J., 1988Selected thermodynamic functions are in better agreement with experimental values of S(298.15 K) and Cp(T) than statistical values calculated by [ Thermodynamics Research Center, 1997, Andreevskii D.N., 1976]. Maximum discrepancies with functions given in [ Thermodynamics Research Center, 1997] amount to 2.5 and 5.0 J/mol*K for S(T) and Cp(T), respectively. Discrepancies with data [ Andreevskii D.N., 1976] reach 11 and 8 J/mol*K for S(T) and Cp(T), respectively.; GT
121.89300.
161.88400.
196.39500.
225.24600.
249.27700.
269.47800.
286.51900.
301.061000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
155.20385.Shvaro O.V., 1987The experimental values of Cp(T) obtained by [ Vilcu R., 1975] seem to be not enough reliable in view of the comparison of experimental heat capacities of some alcohols and ketones measured by these authors (see [ Kabo G.J., 1995]).; GT
161.07400.
168.98420.
175.81440.
183.65460.
190.18480.

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:
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
Deltafliquid-276.1 ± 0.84kJ/molCmWiberg, Crocker, et al., 1991ALS
Deltafliquid-272.6 ± 1.8kJ/molCcbWolf, 1972ALS
Deltafliquid-254. ± 2.kJ/molCcbRabinovoch, Tel'noy, et al., 1962ALS
Deltafliquid-271.4kJ/molCcbSellers and Sunner, 1962ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3517.6 ± 1.7kJ/molCcbWolf, 1972Corresponding «DELTA»fliquid = -272.58 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3536. ± 2.kJ/molCcbRabinovoch, Tel'noy, et al., 1962Corresponding «DELTA»fliquid = -254. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3518.9 ± 1.0kJ/molCcbSellers and Sunner, 1962Corresponding «DELTA»fliquid = -271.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3499. ± 0.8kJ/molCcbSkuratov, Kozina, et al., 1957At 20C; Corresponding «DELTA»fliquid = -291. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid229.03J/mol*KN/ANakamura, Suga, et al., 1980DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
177.20300.Nakamura, Suga, et al., 1980T = 13 to 300 K. Unsmoothed experimental datum for Cp at 296.40 K is 175.96 J/mol*K.; DH
200.4304.2Phillip, 1939DH
177.8290.Herz and Bloch, 1924DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil428. ± 2.KAVGN/AAverage of 21 out of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus243. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple245.21KN/ANakamura, Suga, et al., 1980, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple242.4KN/AWuerflinger and Kreutzenbeck, 1978Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc664.3KN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 3. K; TRC
Tc653.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 3. K; TRC
Tc629.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Pc46.00barN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 1.00 bar; TRC
Pc40.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.50 bar; TRC
Pc38.5035barN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2.0265 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap44. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
320.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
45.130428.8N/ASvoboda, Kubes, et al., 1992Value corrected to 298.15 K.; DH
43.1358.EBTeodorescu, Barhala, et al., 2006Based on data from 343. - 427. K.; AC
44.0333.N/AAucejo, Monton, et al., 1993Based on data from 318. - 428. K.; AC
44.4 ± 0.1308.CSvoboda, Kubes, et al., 1992AC
44.0 ± 0.1313.CSvoboda, Kubes, et al., 1992AC
43.4 ± 0.1323.CSvoboda, Kubes, et al., 1992AC
43.1 ± 0.1328.CSvoboda, Kubes, et al., 1992AC
42.2 ± 0.1338.CSvoboda, Kubes, et al., 1992AC
41.8 ± 0.1343.CSvoboda, Kubes, et al., 1992AC
41.4 ± 0.1348.CSvoboda, Kubes, et al., 1992AC
42.2360.EBAmbrose and Ghiassee, 1987, 2Based on data from 345. - 458. K.; AC
41.5377.A,EBStephenson and Malanowski, 1987Based on data from 362. - 439. K. See also Meyer and Hotz, 1973.; AC
40.4410.N/ACastellari, Francesconi, et al., 1984Based on data from 395. - 426. K.; AC
40.3286.N/ARadulescu and Alexa, 1938Based on data from 273. - 298. 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
362.78 - 438.924.1033 ± 0.000991495.51 ± 0.67-63.598 ± 0.075Meyer and Hotz, 1973

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
49.3254.Nitta and Seki, 1948Based on data from 243. - 265. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
1.33245.2Nakamura, Suga, et al., 1980AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
38.5221.Gonthier-Vassal and Szwarc, 1998CAL
5.2242.6

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
39.22220.8Nakamura, Suga, et al., 1980, 2CAL
5.42245.2

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
8.6596220.83crystaline, IIcrystaline, INakamura, Suga, et al., 1980DH
1.3276245.21crystaline, IliquidNakamura, Suga, et al., 1980DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
39.22220.83crystaline, IIcrystaline, INakamura, Suga, et al., 1980DH
5.414245.21crystaline, IliquidNakamura, Suga, et al., 1980DH

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

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

C6H9O- + Hydrogen cation = Cyclohexanone

By formula: C6H9O- + H+ = C6H10O

Quantity Value Units Method Reference Comment
Deltar1533. ± 8.4kJ/molD-EABrinkman, Berger, et al., 1993gas phase; B
Deltar1531. ± 9.6kJ/molD-EAZimmerman, Jackson, et al., 1978gas phase; B
Deltar1544. ± 18.kJ/molG+TSBrickhouse and Squires, 1988gas phase; Between acetone, Me2C=NOH; B
Quantity Value Units Method Reference Comment
Deltar1501. ± 9.6kJ/molH-TSBrinkman, Berger, et al., 1993gas phase; B
Deltar1498. ± 11.kJ/molH-TSZimmerman, Jackson, et al., 1978gas phase; B
Deltar1511. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; Between acetone, Me2C=NOH; B

Cyclohexanone + Hydrogen = Cyclohexanol

By formula: C6H10O + H2 = C6H12O

Quantity Value Units Method Reference Comment
Deltar-75.86 ± 0.50kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Deltar-63.51 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -64.5 ± 0.3 kJ/mol; At 355 K; ALS

Cyclohexanol = Cyclohexanone + Hydrogen

By formula: C6H12O = C6H10O + H2

Quantity Value Units Method Reference Comment
Deltar63.4 ± 2.3kJ/molEqkKabo, Yursha, et al., 1988gas phase; Dehydrogenation; ALS

Water + Cyclohexene, 1-methoxy- = Cyclohexanone + Methyl Alcohol

By formula: H2O + C7H12O = C6H10O + CH4O

Quantity Value Units Method Reference Comment
Deltar-13.63 ± 0.69kJ/molEqkHine and Arata, 1976liquid phase; ALS

Water + Cyclohexane, 1,1-dimethoxy- = Cyclohexanone + 2Methyl Alcohol

By formula: H2O + C8H16O2 = C6H10O + 2CH4O

Quantity Value Units Method Reference Comment
Deltar28.9 ± 0.1kJ/molCmWiberg, Morgan, et al., 1994liquid phase; ALS

Cyclohexanol + Acetone = Cyclohexanone + Isopropyl Alcohol

By formula: C6H12O + C3H6O = C6H10O + C3H8O

Quantity Value Units Method Reference Comment
Deltar9.9 ± 1.9kJ/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 503 K; ALS

Cyclohexanone + 2Methyl Alcohol = Water + Cyclohexane, 1,1-dimethoxy-

By formula: C6H10O + 2CH4O = H2O + C8H16O2

Quantity Value Units Method Reference Comment
Deltar-54. ± 1.kJ/molCmWiberg, Morgan, et al., 1994gas phase; ALS

Cyclohexanone + Cyclopentanol = Cyclohexanol + Cyclopentanone

By formula: C6H10O + C5H10O = C6H12O + C5H8O

Quantity Value Units Method Reference Comment
Deltar-11.6 ± 1.7kJ/molEqkFedoseenko, Yursha, et al., 1984gas phase; ALS

Cyclohexanone + Isopropyl Alcohol = Cyclohexanol + Acetone

By formula: C6H10O + C3H8O = C6H12O + C3H6O

Quantity Value Units Method Reference Comment
Deltar-9.9 ± 1.9kJ/molEqkKabo, Yursha, et al., 1988gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H10O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.16 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)841.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity811.2kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.0033EFDDesfrancois, Abdoul-Carime, et al., 1994EA: 3.3 meV. Dipole-bound state.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.18PELoudet, Grimaud, et al., 1976LLK
9.5 ± 0.2EIFortin, Forest, et al., 1973LLK
9.16 ± 0.01PECocksey, Eland, et al., 1971LLK
9.14 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.14 ± 0.03PIVilesov, 1960RDSH
9.29PESpanka and Rademacher, 1986Vertical value; LBLHLM
9.18PEKovac and Klasinc, 1978Vertical value; LLK
9.28PEHentrich, Gunkel, et al., 1974Vertical value; LLK
9.14 ± 0.02PEChadwick, Frost, et al., 1971Vertical value; LLK

De-protonation reactions

C6H9O- + Hydrogen cation = Cyclohexanone

By formula: C6H9O- + H+ = C6H10O

Quantity Value Units Method Reference Comment
Deltar1533. ± 8.4kJ/molD-EABrinkman, Berger, et al., 1993gas phase; B
Deltar1531. ± 9.6kJ/molD-EAZimmerman, Jackson, et al., 1978gas phase; B
Deltar1544. ± 18.kJ/molG+TSBrickhouse and Squires, 1988gas phase; Between acetone, Me2C=NOH; B
Quantity Value Units Method Reference Comment
Deltar1501. ± 9.6kJ/molH-TSBrinkman, Berger, et al., 1993gas phase; B
Deltar1498. ± 11.kJ/molH-TSZimmerman, Jackson, et al., 1978gas phase; B
Deltar1511. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; Between acetone, Me2C=NOH; 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, 1990.
NIST MS number 114118

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, 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 Grammaticakis, 1953
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. 883
Instrument n.i.g.
Melting point -31
Boiling point 155.4

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, 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
PackedC78, Branched paraffin130.854.1Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySE-30100.881.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-30110.883.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-3080.874.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-3090.877.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
PackedC78, Branched paraffin130.853.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillarySPB-160.861.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedApolane130.857.Dutoit, 1991Column length: 3.7 m
PackedSE-30150.895.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedOV-1120.883.Valko, Papp, et al., 1984Gas Chrom Q; Column length: 2. m
PackedApiezon L70.851.Jaworski, 1982Column length: 1.8 m
PackedApiezon L120.884.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.886.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane100.855.1Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
PackedApiezon L130.888.Paris and Alexandre, 1972Chromosorb W AW
PackedApiezon L100.867.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L130.886.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-1869.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryOV-101872.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101874.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryBP-1875.Raina, Srivastava, et al., 200325. m/0.32 mm/0.25 «mu»m, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySupelcowax-1060.1301.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedCarbowax 20M75.1310.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-201287.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax1282.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M1280.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1281.Yamaguchi and Shibamoto, 1981N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 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
CapillaryHP-5MS895.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-1851.7Sun and Stremple, 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryDB-5896.8Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5894.Dallüge, van Stee, et al., 200230. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5894.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5891.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
PackedSE-30881.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. 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
Capillary5 % Phenyl methyl siloxane896.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
PackedSE-30881.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
CapillarySupelcowax-101291.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101291.Chung, Yung, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryAT-Wax1275.Pino and Marbot, 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryDB-Wax1311.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryCP-Wax 52CB1280.Chevance and Farmer, 199960. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCP-Wax 52CB1280.Chevance and Farmer, 1999, 260. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryDB-Wax1315.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1314.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 «mu»m, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1314.Shimoda, Shigematsu, et al., 1995, 260. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillarySupelcowax-101291.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101296.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
PackedCarbowax 20M1333.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101282.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.876.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.866.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.871.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.874.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.882.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.890.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.867.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.879.Shimadzu, 2003, 260. m/0.32 mm/1. «mu»m, He
CapillaryOV-101102.862.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101106.864.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101110.865.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101114.866.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10194.860.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10198.862.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10198.862.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
PackedDC-400150.894.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5 MS896.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS897.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryOV-101864.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 «mu»m, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C
CapillaryHP-5903.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryZB-1854.Harvey and Wenzel, 200915. m/0.25 mm/0.10 «mu»m, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C
CapillaryZB-1858.Harvey and Wenzel, 200915. m/0.25 mm/0.10 «mu»m, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C
CapillaryZB-1867.Harvey and Wenzel, 200915. m/0.25 mm/0.10 «mu»m, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C
CapillaryBP-1871.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-1858.Lu, Yu, et al., 199760. m/0.32 mm/1. «mu»m, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min
CapillaryDB-5894.Moio, Dekimpe, et al., 199330. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-1854.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101858.Stern, Flath, et al., 198550. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. 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
CapillaryDB-5 MS875.Zhu, Li, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
CapillaryDB-5 MS894.Zhu, Li, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
CapillaryBP-5895.Helsper, Bücking, et al., 200630. m/0.25 mm/1. «mu»m, He; Program: 40C(2min) => 4C/min => 150C => 8C/min => 250C (15min)
CapillaryMethyl Silicone871.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillarySE-30875.Vinogradov, 2004Program: not specified
CapillaryBPX-5898.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. «mu»m, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillarySPB-1878.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1862.0Chang, Giang, et al., 199330. m/0.53 mm/1.5 «mu»m; Program: 35C (6min) => 3C/min => 100C => 6C/min => 250C => 30C => 260C (2.5min)
CapillarySPB-1878.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1875.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillarySE-30857.Ibrahim and Suffet, 1988N2; Column length: 60. m; Column diameter: 0.32 mm; Program: 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min)
CapillaryOV-101875.Shibamoto, 1987Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.900.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1855.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.1302.Shimadzu, 2003, 250. m/0.32 mm/1. «mu»m, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1281.Lin, Cai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 3. K/min, 230. C @ 20. min
CapillaryDB-Wax1281.Hayata, Sakamoto, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
CapillaryDB-Wax1320.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax1285.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryTC-Wax1299.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryDB-Wax1273.Chung, Eiserich, et al., 199360. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1285.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax1311.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax1314.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryCarbowax 20M1306.Vinogradov, 2004Program: not specified
CapillarySupelcowax-101306.Jung, Kim, et al., 2001Program: not specified
CapillaryDB-Wax1289.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M1306.Shibamoto, 1987Program: not specified
CapillaryCarbowax 20M1275.Ramsey and Flanagan, 1982Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5139.80Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

References

Go To: Top, Gas phase thermochemistry data, 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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