Cyclohexanol


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, NIST Subscription 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-69. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
gas84.567cal/mol*KN/AKabo G.J., 1988Other entropy value at 298.15 K obtained from calorimetric data is 327.69 J/mol*K [ Stull D.R., 1969].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
31.716298.15Kabo G.J., 1988Statistically calculated S(T) and Cp(T) values given in [ Thermodynamics Research Center, 1997] are 1-10 and 5-10 J/mol*K, respectively, lower than those of [ Kabo G.J., 1988].; GT
31.914300.
42.208400.
51.726500.
59.794600.
66.532700.
72.115800.
76.666900.
80.6211000.

Condensed phase thermochemistry data

Go To: Top, Gas 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, NIST Subscription 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:
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-84.13 ± 0.16kcal/molCacWiberg, Wasserman, et al., 1985Trifluoroacetolysis; ALS
Δfliquid-83.6 ± 0.5kcal/molCcbRabinovoch, Tel'noy, et al., 1962ALS
Δfliquid-83.03 ± 0.53kcal/molCcbSellers and Sunner, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -83.23 kcal/mol; ALS
Δfliquid-83.45 ± 0.04kcal/molCcbParks, Mosley, et al., 1950ALS
Δfliquid-85.84kcal/molCcbKelley, 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid-891. ± 5.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid48.726cal/mol*KN/AAdachi, Suga, et al., 1968DH
liquid47.71cal/mol*KN/AKelley, 1929Average of values derived from measurements on both low and high temperature crystal forms down to 13 K, plus entropy of transition and fusion. Debye extrapolation below 13.5 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
51.162298.15Mayer, Rachwalska, et al., 1990T = 170 to 320 K. Cp(liq) = -2223.2606 + 22.0059595T - 0.0691686793T2 + 0.0000763592T3 J/mol*K (298 to 320 K). Cp value caluculated from equation.; DH
50.189298.15Caceres-Alonso, Costas, et al., 1988DH
52.61298.Conti, Gianni, et al., 1976DH
50.7297.95Petit and TerMinassian, 1974T = 297 to 428 K. Value is unsmoothed experimental datum.; DH
51.049300.Adachi, Suga, et al., 1968T = 14 to 320 K.; DH
48.40305.1Phillip, 1939DH
49.959298.15Kelley, 1929T = 13 to 300 K. Value is unsmoothed experimental datum.; DH
41.80290.Herz and Bloch, 1924DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny 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
DRB - Donald R. Burgess, Jr.
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil433. ± 3.KAVGN/AAverage of 20 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus296. ± 5.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple299.09KN/AAdachi, Suga, et al., 1968, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple297.0KN/AKelley, 1929, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc645. ± 20.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc40.27atmN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 1.48 atm; derived from fit of obs. vapor pressure; TRC
Pc43.43atmN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.25 atm; TRC
Pc42.0 ± 0.5atmN/AGude and Teja, 1995 
Pc42.04atmN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.49 atm; TRC
Pc37.0000atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 1.5000 atm; TRC
Quantity Value Units Method Reference Comment
ρc3.00mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.10 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap14.8 ± 0.3kcal/molAVGN/AAverage of 10 out of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
14.4337.N/ASteyer and Sundmacher, 2004Based on data from 322. to 433. K.; AC
11.9405.N/ASwiatek and Malanowski, 2002Based on data from 390. to 430. K.; AC
14.6 ± 0.1308.GSVerevkin, 1998Based on data from 288. to 328. K.; AC
13.1365.EBAmbrose and Ghiassee, 1987, 2Based on data from 350. to 456. K.; AC
14.3333.AStephenson and Malanowski, 1987Based on data from 318. to 434. K.; AC
15.0315.AStephenson and Malanowski, 1987Based on data from 300. to 434. K.; AC
11.8418.N/ACastellari, Francesconi, et al., 1984Based on data from 404. to 432. K.; AC
14.0318.N/ASipowska and Wieczorek, 1984Based on data from 303. to 373. K.; AC
14.4309.N/ACabani, Conti, et al., 1975Based on data from 299. to 319. K.; AC
12.6382.N/ANovák, Matous, et al., 1960Based on data from 367. to 433. K. See also Novák, Matous, et al., 1960, 2.; AC
13.1322.N/AThomson, 1946Based on data from 307. to 422. K.; AC
10.86431.7VMathews and Fehlandt, 1931ALS

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
366.88 to 433.93.07506777.363-182.037Novak, Matous, et al., 1960Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
14.5285.AStephenson and Malanowski, 1987Based on data from 272. to 298. K. See also Nitta and Seki, 1948.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
0.413298.2DSCSingh and Murthy, 2009AC
0.41297.N/APingel, Poser, et al., 1984See also Adachi, Suga, et al., 1968 and Domalski and Hearing, 1996.; AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
7.443263.5Domalski and Hearing, 1996CAL
1.37297.

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.09044220.9crystaline, IIIcrystaline, IIMayer, Rachwalska, et al., 1990DH
2.060244.5crystaline, IIIcrystaline, IMayer, Rachwalska, et al., 1990DH
2.070264.86crystaline, IIcrystaline, IMayer, Rachwalska, et al., 1990DH
0.4316297.92crystaline, IliquidMayer, Rachwalska, et al., 1990DH
2.065244.8crystaline, IIIcrystaline, IAdachi, Suga, et al., 1968DH
2.110265.50crystaline, IIcrystaline, IAdachi, Suga, et al., 1968DH
0.4261299.09crystaline, IliquidAdachi, Suga, et al., 1968DH
1.961263.5crystaline, IIcrystaline, IKelley, 1929Excess enthalpy over extrapolated heat capacity curves.; DH
0.4061297.0crystaline, IliquidKelley, 1929Tm is 23.87°C from 16RIC/SHI.; DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.4094220.9crystaline, IIIcrystaline, IIMayer, Rachwalska, et al., 1990DH
8.44244.5crystaline, IIIcrystaline, IMayer, Rachwalska, et al., 1990DH
7.815264.86crystaline, IIcrystaline, IMayer, Rachwalska, et al., 1990DH
1.45297.92crystaline, IliquidMayer, Rachwalska, et al., 1990DH
8.435244.8crystaline, IIIcrystaline, IAdachi, Suga, et al., 1968DH
7.947265.50crystaline, IIcrystaline, IAdachi, Suga, et al., 1968DH
1.42299.09crystaline, IliquidAdachi, Suga, et al., 1968DH
7.443263.5crystaline, IIcrystaline, IKelley, 1929Excess; DH
1.37297.0crystaline, IliquidKelley, 1929Tm; DH

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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription 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: 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

Cyclohexanone + Hydrogen = Cyclohexanol

By formula: C6H10O + H2 = C6H12O

Quantity Value Units Method Reference Comment
Δr-18.13 ± 0.12kcal/molCmWiberg, Crocker, et al., 1991liquid phase
Δr-15.18 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -15.42 ± 0.08 kcal/mol; At 355 K

Cyclohexanol + Acetic acid, trifluoro-, anhydride = Acetic acid, trifluoro-, cyclohexyl ester + Trifluoroacetic acid

By formula: C6H12O + C4F6O3 = C8H11F3O2 + C2HF3O2

Quantity Value Units Method Reference Comment
Δr-21.524 ± 0.037kcal/molCacWiberg, Wasserman, et al., 1985liquid phase; Trifluoroacetolysis

Cyclohexanol = Cyclohexanone + Hydrogen

By formula: C6H12O = C6H10O + H2

Quantity Value Units Method Reference Comment
Δr15.2 ± 0.55kcal/molEqkKabo, Yursha, et al., 1988gas phase; Dehydrogenation

Cyclohexanol + Acetone = Cyclohexanone + Isopropyl Alcohol

By formula: C6H12O + C3H6O = C6H10O + C3H8O

Quantity Value Units Method Reference Comment
Δr2.4 ± 0.45kcal/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 503 K

Cyclohexanol = Cyclohexane + Hydrogen

By formula: C6H12O = C6H12 + H2

Quantity Value Units Method Reference Comment
Δr15.2 ± 0.55kcal/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 502 K

Cyclohexanone + Cyclopentanol = Cyclohexanol + Cyclopentanone

By formula: C6H10O + C5H10O = C6H12O + C5H8O

Quantity Value Units Method Reference Comment
Δr-2.77 ± 0.41kcal/molEqkFedoseenko, Yursha, et al., 1984gas phase

Cyclohexanone + Isopropyl Alcohol = Cyclohexanol + Acetone

By formula: C6H10O + C3H8O = C6H12O + C3H6O

Quantity Value Units Method Reference Comment
Δr-2.4 ± 0.45kcal/molEqkKabo, Yursha, et al., 1988gas phase

Henry's Law data

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, NIST Subscription 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: 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
170. VN/A

Gas phase ion energetics data

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.75EIRabbih and Selim, 1983LBLHLM
10.0 ± 0.2EIDerrick, Holmes, et al., 1975LLK
10.0EIWard and Williams, 1969RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H5O+11.5?EIWard and Williams, 1969RDSH
C5H7+10.9CH3+H2OEIWard and Williams, 1969RDSH
C6H10+10.4 ± 0.05H2OEIGreen, Bafus, et al., 1975LLK
C6H10+10.2 ± 0.2H2OEIDerrick, Holmes, et al., 1975LLK
C6H10+9.47H2OEILewis and Hamill, 1970RDSH
C6H10+10.4 ± 0.05H2OEIGreen, 1980Vertical value; LLK

IR Spectrum

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, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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, NIST Subscription 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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 291439

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, NIST Subscription 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedC78, Branched paraffin130.851.1Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryOV-101150.921.1Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
PackedC78, Branched paraffin130.852.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.855.Dutoit, 1991Column length: 3.7 m
PackedSE-30150.885.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.891.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedApiezon L120.880.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.900.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.880.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30120.874.Pascal, Heintz, et al., 1974Column length: 2. m
PackedSE-30140.879.Pascal, Heintz, et al., 1974Column length: 2. m
PackedSE-30160.883.Pascal, Heintz, et al., 1974Column length: 2. m
PackedApiezon L130.878.Paris and Alexandre, 1972Chromosorb W AW
PackedApiezon L100.863.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L130.880.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L190.898.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS869.Asuming, Beauchamp, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillaryCBP-1872.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M120.1377.Pascal, Heintz, et al., 1974Column length: 2. m
PackedCarbowax 20M140.1386.Pascal, Heintz, et al., 1974Column length: 2. m
PackedCarbowax 20M160.1396.Pascal, Heintz, et al., 1974Column length: 2. m
CapillaryCarbowax 20M130.1430.Hedin, Thopson, et al., 1972N2; Column length: 15.24 m; Column diameter: 0.5 mm

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-201403.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS886.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryCP Sil 5 CB856.Pino and Marbot, 200150. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
PackedSE-30885.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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone881.Peng, Yang, et al., 1991Program: not specified
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

View large format table.

Column type Active phase I Reference Comment
CapillaryAT-Wax1386.Pino and Marbot, 200160. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryDB-Wax1410.Shimoda, Wu, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1375.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1376.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
PackedCarbowax 20M1414.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-101407.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCarbowax 20M1408.Whitfield, Shea, et al., 1981Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.872.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.866.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.869.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.870.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.875.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.881.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.866.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.861.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5 MS889.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS891.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryHP-5 MS880.Kim and Chung, 200930. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryHP-5870.Wang, Yang, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryHP-5867.Figuérédo, Cabassu, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryDB-5849.Ruberto, Biondi, et al., 200230. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 300. C
CapillaryOV-101880.Egolf and Jurs, 19932. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101880.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
PackedApiezon L928.Dahlmann, Köser, et al., 1979Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5876.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
CapillarySE-30880.Vinogradov, 2004Program: not specified
CapillaryOV-101880.Krings, Banavara, et al., 2003Program: not specified
CapillaryHP-5MS881.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillarySPB-1874.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1874.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1899.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryOV-101880.Shibamoto, 1987Program: not specified
CapillaryOV-1913.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1378.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryCarbowax 20M1410.de la Fuente, Martinez-Castro, et al., 200550. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
CapillaryDB-Wax1403.Lee, Umano, et al., 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax1403.Dregus and Engel, 200360. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryDB-Wax1403.Fu, Yoon, et al., 200230. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
CapillaryDB-Wax1393.Ito, Sugimoto, et al., 200260. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryDB-Wax1375.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1392.Parada, Duque, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryCarbowax 20M1375.Egolf and Jurs, 19932. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1375.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1375.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M1375.Krings, Banavara, et al., 2003Program: not specified
CapillaryNukol1394.López and Dufour, 2001N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min)
CapillaryDB-Wax1375.Miranda, Nogueira, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C
CapillaryDB-Wax1392.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryDB-Wax1400.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryCarbowax 20M1375.Shibamoto, 1987Program: not specified
CapillaryCarbowax 20M1375.Ramsey and Flanagan, 1982Program: not specified

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, NIST Subscription Links, Notes

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

Kabo G.J., 1988
Kabo G.J., Thermodynamic properties of cyclohexanol and cyclohexanone, J. Chem. Thermodyn., 1988, 20, 429-437. [all data]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Wiberg, Wasserman, et al., 1985
Wiberg, K.B.; Wasserman, D.J.; Martin, E.J.; Murcko, M.A., Enthalpies of hydration of alkenes. 3. Cycloalkenes, J. Am. Chem. Soc., 1985, 107, 6019-6022. [all data]

Rabinovoch, Tel'noy, et al., 1962
Rabinovoch, N.B.; Tel'noy, V.I.; Terman, L.M.; Kirillova, A.S.; Razuvaev, G.A., The heats of decomposition and formation of dicyclohexyl- and dimethylperoxidecarbonate, Dokl. Akad. Nauk SSSR, 1962, 143, 133-136. [all data]

Sellers and Sunner, 1962
Sellers, P.; Sunner, S., Heats of combustion of cyclic ketones and alcohols, Acta Chem. Scand., 1962, 16, 46-52. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Kelley, 1929
Kelley, K.K., Cyclohexanol and the third law of thermodynamics, J. Am. Chem. Soc., 1929, 51, 1400-1406. [all data]

Adachi, Suga, et al., 1968
Adachi, K.; Suga, H.; Seki, S., Phase changes in crystalline and glassy-crystalline cyclohexanol, Bull. Chem. Soc. Japan, 1968, 41, 1073-1087. [all data]

Mayer, Rachwalska, et al., 1990
Mayer, J.; Rachwalska, M.; Sciesinska, E.; Sciesinski, J., On the polymorphism of solid cyclohexanol by adiabatic calorimetry and far infrared methods, J. Phys.(Paris), 1990, 51(9), 857-867. [all data]

Caceres-Alonso, Costas, et al., 1988
Caceres-Alonso, M.; Costas, M.; Andreoli-Ball, L.; Patterson, D., Steric effects on the self-association of branched and cyclic alcohols in inert solvents. Apparent heat capacities of secondary and tertiary alcohols in hydrocarbons, Can. J. Chem., 1988, 66, 989-998. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Petit and TerMinassian, 1974
Petit, J.C.; TerMinassian, L., Measurements of (dV/dT)p, (dV/dP)T, and (dH/dT)p by flux calorimetry, J. Chem. Thermodynam., 1974, 6, 1139-1152. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Herz and Bloch, 1924
Herz, W.; Bloch, W., Physikalisch-chemische Untersuchungen an Verbindungen der Cyklohexanreihe, Z. Phys. Chem., 1924, 110, 23-39. [all data]

Adachi, Suga, et al., 1968, 2
Adachi, K.; Suga, H.; Seki, S., Phase Changes in Crystalline and Glassy-Crystalline Cyclohexanol, Bull. Chem. Soc. Japan, 1968, 41, 5, 1073, https://doi.org/10.1246/bcsj.41.1073 . [all data]

Kelley, 1929, 2
Kelley, K.K., Cyclohexanol and the third law of thermodynamics, J. Am. Chem. Soc., 1929, 51, 1400-6. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturted Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di-tert-butylbenzene, (±)-2-Ethylhexanoic Acid, 1-(m, J. Chem. Eng. Data, 1997, 42, 1021-36. [all data]

Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M., Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method, J. Chem. Eng. Data, 1996, 41, 1252-4. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of C5 and C6 Cyclic Alcohols and Ketones, J. Chem. Thermodyn., 1987, 19, 903. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Steyer and Sundmacher, 2004
Steyer, Frank; Sundmacher, Kai, VLE and LLE Data for the System Cyclohexane + Cyclohexene + Water + Cyclohexanol, J. Chem. Eng. Data, 2004, 49, 6, 1675-1681, https://doi.org/10.1021/je049902w . [all data]

Swiatek and Malanowski, 2002
Swiatek, Barbara E.; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium in m -Xylene + Cyclohexanol at 19.99 and 94.93 kPa, J. Chem. Eng. Data, 2002, 47, 3, 478-481, https://doi.org/10.1021/je010246z . [all data]

Verevkin, 1998
Verevkin, Sergey P., Thermochemistry of phenols: experimental standard molar enthalpies of formation of 2-phenylphenol, 4-phenylphenol, 2,6-diphenylphenol, and 2,2´- and 4,4´-dihydroxybiphenyl, The Journal of Chemical Thermodynamics, 1998, 30, 3, 389-396, https://doi.org/10.1006/jcht.1997.0316 . [all data]

Ambrose and Ghiassee, 1987, 2
Ambrose, D.; Ghiassee, N.B., Vapour pressures and critical temperatures and critical pressures of C5 and C6 cyclic alcohols and ketones, The Journal of Chemical Thermodynamics, 1987, 19, 9, 903-909, https://doi.org/10.1016/0021-9614(87)90036-X . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Castellari, Francesconi, et al., 1984
Castellari, Carlo; Francesconi, Romolo; Comelli, Fabio, Vapor-liquid equilibriums in binary systems containing 1,3-dioxolane at isobaric conditions. 5. Binary mixtures of 1,3-dioxolane with cyclohexanone and cyclohexanol, J. Chem. Eng. Data, 1984, 29, 1, 90-93, https://doi.org/10.1021/je00035a029 . [all data]

Sipowska and Wieczorek, 1984
Sipowska, Jadwiga T.; Wieczorek, Stefan A., Vapour pressures and excess Gibbs free energies of (cyclohexanol + n-heptane) between 303.147 and 373.278 K, The Journal of Chemical Thermodynamics, 1984, 16, 7, 693-699, https://doi.org/10.1016/0021-9614(84)90051-X . [all data]

Cabani, Conti, et al., 1975
Cabani, Sergio; Conti, G.; Mollica, V.; Lepori, L., Thermodynamic study of dilute aqueous solutions of organic compounds. Part 4.---Cyclic and straight chain secondary alcohols, J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 1943, https://doi.org/10.1039/f19757101943 . [all data]

Novák, Matous, et al., 1960
Novák, J.; Matous, J.; Pick, J., Gleichgewicht flüssigkeit-dampf XXIV. Gleichgewicht flüssigkeit-dampf im system cyclohexylamin-cyclohexanol-anilin, Collect. Czech. Chem. Commun., 1960, 25, 9, 2405-2413, https://doi.org/10.1135/cccc19602405 . [all data]

Novák, Matous, et al., 1960, 2
Novák, J.; Matous, J.; Pick, J., Dampfdruck des cyclohexanols und des cyclohexylamins, Collect. Czech. Chem. Commun., 1960, 25, 2, 583-585, https://doi.org/10.1135/cccc19600583 . [all data]

Thomson, 1946
Thomson, George Wm., The Antoine Equation for Vapor-pressure Data., Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001 . [all data]

Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R., The heats of vaporization of some organic compounds, J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]

Novak, Matous, et al., 1960
Novak, J.; Matous, J.; Pick, J., Dampfdruck des Cyclohexanols und des Cyclohexylamins, Collect. Czech. Chem. Commun., 1960, 25, 2, 583-584, https://doi.org/10.1135/cccc19600583 . [all data]

Nitta and Seki, 1948
Nitta, I.; Seki, S., J. Chem. Soc. Jpn. Pure Chem. Sect., 1948, 69, 141. [all data]

Singh and Murthy, 2009
Singh, Lokendra P.; Murthy, S.S.N., Dielectric and calorimetric investigation of an unusual two-component plastic crystal: cyclohexanol-neopentylglycol, Phys. Chem. Chem. Phys., 2009, 11, 25, 5110, https://doi.org/10.1039/b817964f . [all data]

Pingel, Poser, et al., 1984
Pingel, Norbert; Poser, Uwe; Würflinger, Albert, Dielectric measurements at high pressures and low temperatures. Part 6.---Dielectric and thermodynamic properties of cyclohexanol, J. Chem. Soc., Faraday Trans. 1, 1984, 80, 11, 3221, https://doi.org/10.1039/f19848003221 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]

Kabo, Yursha, et al., 1988
Kabo, G.J.; Yursha, I.A.; Frenkel, M.L.; Poleshchuk, P.A.; Fedoseenko, V.I.; Ladutko, A.I., Thermodynamic properties of cyclohexanol and cyclohexanone, J. Chem. Thermodyn., 1988, 20, 429-437. [all data]

Fedoseenko, Yursha, et al., 1983
Fedoseenko, V.I.; Yursha, I.A.; Kabo, G.Ya., Equilibrium and thermodynamics of cyclohexanol dehydrogenation reactions, Dokl. Akad. Nauk BSSR, 1983, 27, 926-929. [all data]

Fedoseenko, Yursha, et al., 1984
Fedoseenko, V.I.; Yursha, I.A.; Kabo, G.Ya., Equilibrium of cyclopentanol dehydrogenation and hydrogen disproportionation in the cyclopentanol-cyclohexanone system, Dokl. Akad. Nauk BSSR, 1984, 28, 1109-1112. [all data]

Rabbih and Selim, 1983
Rabbih, M.A.; Selim, E.T.M., A Mass spectrometric appearance energies study of cyclohexanol, Egypt. J. Phys., 1983, 14, 243. [all data]

Derrick, Holmes, et al., 1975
Derrick, P.J.; Holmes, J.L.; Morgan, R.P., Kinetics and mechanisms of the loss of water from the cyclohexanol radical ion at times from 50 picoseconds to 10 microseconds following field ionization, J. Am. Chem. Soc., 1975, 97, 4936. [all data]

Ward and Williams, 1969
Ward, R.S.; Williams, D.H., A study of water elimination as a function of ion lifetime in the mass spectrum of cyclohexanol, J. Organometal. Chem., 1969, 34, 3373. [all data]

Green, Bafus, et al., 1975
Green, M.M.; Bafus, D.; Franklin, J.L., Short communication; Combined deuterium labeling and appearance potential measurements to uncover competing reaction mechanisms in the electron- impact-induced loss of water from cyclohexanol, Org. Mass Spectrom., 1975, 10, 679. [all data]

Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H., Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer, J. Chem. Phys., 1970, 52, 6348. [all data]

Green, 1980
Green, M.M., A stereochemical bridge between mass spectrometry and free radical chemistry, Tetrahedron, 1980, 36, 2687. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J., Prediction of retention indices of various compounds in gas-liquid chromatography, J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

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

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Pascal, Heintz, et al., 1974
Pascal, J.C.; Heintz, M.; Druilhe, A.; Lefort, D., Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniques, Chromatographia, 1974, 7, 5, 236-245, https://doi.org/10.1007/BF02321774 . [all data]

Paris and Alexandre, 1972
Paris, C.; Alexandre, P., Stereochemical Investigation of Cyclohexane and Terpene Compounds by Gas Chromatography, J. Chromatogr. Sci., 1972, 10, 6, 402-411, https://doi.org/10.1093/chromsci/10.6.402 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Hedin, Thopson, et al., 1972
Hedin, P.A.; Thopson, A.C.; Gueldner, R.C.; Minyard, J.P., Volatile constituents of the boll weevil, J. Insect. Physiol., 1972, 18, 1, 79-86, https://doi.org/10.1016/0022-1910(72)90066-2 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

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

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y., Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography, J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168 . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195 . [all data]

Tello, Lebron-Aguilar, et al., 2009
Tello, A.M.; Lebron-Aguilar, R.; Quintanilla-Lopez, J.E.; Santiuste, J.M., Isothermal retention indices on poly93-cyanopropylmethyl)siloxane stationary phases, J. Chromatogr. A, 2009, 1216, 10, 1630-1639, https://doi.org/10.1016/j.chroma.2008.10.025 . [all data]

Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M., Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases, J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025 . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y., Chemical variation in the essential oil of Ephedra sinica from Northeastern China, Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033 . [all data]

Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel, Flavour Fragr. J., 2005, 20, 164-168. [all data]

Ruberto, Biondi, et al., 2002
Ruberto, G.; Biondi, D.; Barbagallo, C.; Meli, R.; Savoca, F., Constituents of stem and flower oils of Helichrysum litoreum Guss., Flavour Fragr. J., 2002, 17, 1, 46-48, https://doi.org/10.1002/ffj.1037 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Krings, Banavara, et al., 2003
Krings, U.; Banavara, D.S.; Berger, R.G., Thin layer high vacuum distillation to isolate the flavor of high-fat food, Eur. Food Res. Technol., 2003, 217, 1, 70-73, https://doi.org/10.1007/s00217-003-0700-9 . [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S., Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink), Int. Food Res. J., 2012, 19, 2, 583-588. [all data]

de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J., Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry, J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R., Aroma-actie components in fermented bamboo shoots, J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y., Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera), J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232 . [all data]

López and Dufour, 2001
López, M.G.; Dufour, J.P., Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas, Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]

Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M., Odour-active compounds of banana passa identified by aroma extract dilution analysis, Flavour Fragr. J., 2001, 16, 4, 281-285, https://doi.org/10.1002/ffj.997 . [all data]

Peng, Yang, et al., 1991, 2
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

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, NIST Subscription Links, References