Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Cetene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-248.4 ± 2.5kJ/molCcrStridh, 1976Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -250.2 ± 3.0 kJ/mol; ALS
Deltafgas-247.2 ± 2.6kJ/molCcbLoeffler and Rossini, 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -243.3 ± 3.3 kJ/mol; ALS
Deltafgas-249.3kJ/molN/AFraser and Prosen, 1955Value computed using «DELTA»fHliquid° value of -329.4±2.1 kj/mol from Fraser and Prosen, 1955 and «DELTA»vapH° value of 80.1 kj/mol from Loeffler and Rossini, 1960.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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:
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-330.5 ± 3.0kJ/molCcrStridh, 1976ALS
Deltafliquid-327.3 ± 2.5kJ/molCcbLoeffler and Rossini, 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -323.4 ± 3.3 kJ/mol; ALS
Deltafliquid-329.4 ± 2.1kJ/molCcbFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacliquid-10539.0 ± 2.0kJ/molCcrStridh, 1976Corresponding «DELTA»fliquid = -330.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-10540. ± 2.kJ/molCcbFraser and Prosen, 1955Corresponding «DELTA»fliquid = -329.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid613.88J/mol*KN/AMesserly, Todd, et al., 1990DH
liquid587.90J/mol*KN/AMcCullough, Finke, et al., 1957Does not include S0.; DH
Quantity Value Units Method Reference Comment
Deltacsolid-10546.0 ± 3.1kJ/molCcbLoeffler and Rossini, 1960Corresponding «DELTA»fsolid = -323.43 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
485.83298.15Messerly, Todd, et al., 1990T = 10 to 400 K.; DH
488.88298.15McCullough, Finke, et al., 1957T = 11 to 360 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
Tboil547.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil547.KN/AFarchan Laboratories, 1990BS
Tboil557.6KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus279. ± 8.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple277.390KN/AMesserly, Todd, et al., 1990, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.003 K; TRC
Ttriple277.51KN/AMcCullough, Finke, et al., 1957, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple277.30KN/AWaddington, 1951Uncertainty assigned by TRC = 0.15 K; TRC
Ttriple277.45KN/AWaddington, 1951Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Deltavap80.2 ± 0.2kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
61.5476.AStephenson and Malanowski, 1987Based on data from 461. - 558. K. See also Camin, Forziati, et al., 1954.; AC

Antoine Equation Parameters

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

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

Temperature (K) A B C Reference Comment
461.30 - 557.924.162081837.811-115.859Camin, Forziati, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
30.192277.51McCullough, Finke, et al., 1957DH
30.21277.5Messerly, Todd, et al., 1990AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
108.80277.51McCullough, Finke, et al., 1957DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
15.53249.2Messerly, Todd, et al., 1990, 3CAL
108.86277.5

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0217.7crystaline, IIIcrystaline, IIMesserly, Todd, et al., 1990DH
3.86957249.2crystaline, IIcrystaline, IMesserly, Todd, et al., 1990DH
30.09936277.396crystaline, IliquidMesserly, Todd, et al., 1990DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
15.53249.2crystaline, IIcrystaline, IMesserly, Todd, et al., 1990DH
108.51277.396crystaline, IliquidMesserly, Todd, et al., 1990DH

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, 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: 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

Hydrogen + Cetene = Hexadecane

By formula: H2 + C16H32 = C16H34

Quantity Value Units Method Reference Comment
Deltar-123.8 ± 1.8kJ/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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, 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

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).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 MASS SPECTRA OF ORGANIC COMPOUNDS, CSIRO, B.H. KENNETT ET AL
NIST MS number 69727

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, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-1140.1588.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 «mu»m, He
CapillarySE-30120.1590.Gusev, Sokolov, et al., 1989H2; Column length: 40. m; Column diameter: 0.30 mm
CapillaryCP Sil 5 CB240.1600.8Hanai and Hong, 198930. m/0.25 mm/0.25 «mu»m
CapillaryDB-1240.1586.Hanai and Hong, 198930. m/0.25 mm/0.25 «mu»m
CapillaryApolane160.1586.8Soják, Krupcík, et al., 1980N2 or H2; Column length: 250. m; Column diameter: 0.25 mm
CapillaryApiezon L154.1588.1Soják, Krupcík, et al., 1980N2 or H2; Column length: 250. m; Column diameter: 0.25 mm
CapillarySqualane130.1584.Soják, Hrivnák, et al., 1974 
CapillarySqualane130.1584.Soják, Hrivnák, et al., 1974 

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1011590.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011593.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCP-Wax240.1666.Hanai and Hong, 198925. m/0.25 mm/0.22 «mu»m
CapillaryDB-Wax240.1655.Hanai and Hong, 198925. m/0.25 mm/0.22 «mu»m
CapillaryPEG-20M110.1626.Rang, Orav, et al., 1988 
CapillaryCarbowax 20M110.1625.7Soják, Krupcík, et al., 1980N2; Column length: 300. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51588.bin Jantan, Yalvema, et al., 200525. m/0.25 mm/0.25 «mu»m, N2, 75. C @ 10. min, 3. K/min, 210. C @ 1. min
CapillaryHP-51579.Flamini, Luigi Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-5MS1587.Mimica-Dukic, Kujundzic, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51590.Skaltsa, Demetzos, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51591.6Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51591.9Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51591.7Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51591.6Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51592.7Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51592.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51593.Skaltsa, Lazari, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-11587.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 30. C; Tend: 225. C
CapillaryDB-51591.7Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51591.6Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51592.7Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51591.6Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51591.9Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51590.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
CapillaryDB-5MS1600.Varlet V., Knockaert C., et al., 200630. m/0.32 mm/0.5 «mu»m, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)
CapillaryDB-51592.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1630.Pennarun, Prost, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1593.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51590.Scrivanti, Anton, et al., 200930. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C
CapillaryHP-1011594.Mastelic, Jerkovic, et al., 200625. m/0.2 mm/0.2 «mu»m, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min
CapillaryPetrocol DH1590.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 «mu»m, 1. K/min; Tstart: 40. C; Tend: 300. C
CapillaryHP-51592.Duarte, Figueira, et al., 200525. m/0.2 mm/0.33 «mu»m, He, 3. K/min, 240. C @ 7. min; Tstart: 60. C
CapillaryHP-51593.2Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryDB-51590.Rout, Misra, et al., 200525. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 200. C @ 80. min; Tstart: 60. C
CapillaryDB-51590.Morteza-Semnani, Saeedi, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryOV-11588.Ramaroson-Raonizafinimanana, Gaydou, et al., 199725. m/0.31 mm/0.15 «mu»m, H2, 3. K/min; Tstart: 70. C; Tend: 220. C
CapillaryDB-11590.Binder and French, 19944. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryCross-Linked Methylsilicone1590.Bravo and Hotchkiss, 1993He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C
CapillaryDB-11595.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-11600.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryUltra-11588.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryDB-11586.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillarySE-541593.Scribe, Ngoumbi-Nzouzi, et al., 19902. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 280. C
CapillaryOV-1011590.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryOV-1011589.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
PackedApiezon L1597.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
CapillaryDB-51593.Yusuf and Bewaji, 2011Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-11581.Delort and Jaquier, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
CapillaryCP Sil 8 CB1590.Radusiene, Judzentiene, et al., 200750. m/0.32 mm/0.25 «mu»m, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min)
CapillaryCP-Sil 8CB-MS1593.Mockute, Bernotiene, et al., 2003Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C
CapillaryDB-51590.Morteza-Semnani and Vahedi, 2002Program: not specified
CapillaryHP-51593.Timón, Ventanas, et al., 199850. m/0.32 mm/0.52 «mu»m, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1645.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 «mu»m, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1647.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 «mu»m, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min
CapillarySupelcowax-101649.Korány, Mednyánszky, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-Wax1655.Chung, Eiserich, et al., 199360. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax1644.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelco CO Wax-101645.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 «mu»m, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)
CapillaryHP-Innowax FSC1654.Tunalier, Candan, et al., 200660. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1654.Peng, Yang, et al., 1991Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5267.8Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 «mu»m, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5270.3Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Stridh, 1976
Stridh, G., Enthalpies of formation of 1-dodecene and 1-hexadecene and the CH2-increment in the 1-alkene series, J. Chem. Thermodyn., 1976, 8, 895-899. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Loeffler and Rossini, 1960
Loeffler, S.M.C.; Rossini, F.D., Heats of combustion and formation of the higher normal alkyl cyclopentanes, cyclohexanes, benzenes and 1-alkenes in the liquid state at 25°, J. Phys. Chem., 1960, 64, 1530-1533. [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]

Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length, J. Res. NBS, 1955, 55, 329-333. [all data]

Messerly, Todd, et al., 1990
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D., Heat capacities of pent-1-ene (10K to 320K), cis-hex-2-ene (10K to 330K), non-1-ene (10K to 400K), and hexadec-1-ene (10K to 400K), J. Chem. Thermodynam., 1990, 22, 1107-1128. [all data]

McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state, J. Phys. Chem., 1957, 61, 289-301. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Messerly, Todd, et al., 1990, 2
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D., Heat capacities of pent-1-ene (10 K to 320 K), cis-hex-2-ene (10 K to 330 K), non-1-ene (10 K to 400 K) and hexadec-1-ene (10 K to 400 K), J. Chem. Thermodyn., 1990, 22, 1107-28. [all data]

McCullough, Finke, et al., 1957, 2
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state, J. Phys. Chem., 1957, 61, 289. [all data]

Waddington, 1951
Waddington, G., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1951. [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]

Camin, Forziati, et al., 1954
Camin, David L.; Forziati, Alphonse F.; Rossini, Frederick D., Physical Properties of n-Hexadecane, n-Decylcyclopentane, n-Decylcyclohexane, 1-Hexadecene and n-Decylbenzene, J. Phys. Chem., 1954, 58, 5, 440-442, https://doi.org/10.1021/j150515a015 . [all data]

Messerly, Todd, et al., 1990, 3
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D., Heat capacities of pent-1-ene (10 K to 320 K), cis-hex-2-ene (10 K to 330 K), non-1-ene (10 K to 400 K), and hexadec-1-ene (10 K to 400 K), J. Chem. Thermodyn., 1990, 22, 11, 1107, https://doi.org/10.1016/0021-9614(90)90159-N . [all data]

Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S., Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect, J. Phys. Chem., 1974, 78, 2569-2572. [all data]

Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J., Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise, J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9 . [all data]

Gusev, Sokolov, et al., 1989
Gusev, G.M.; Sokolov, V.P.; Yurov, V.V.; Kuznetsov, A.V.; Potatuev, A.A., Identification of olefins during hydrocarboxylation, Zh. Anal. Khim., 1989, 44, 551-555. [all data]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [all data]

Soják, Krupcík, et al., 1980
Soják, L.; Krupcík, J.; Janák, J., Gas chromatography of all C15-C18 linear alkenes on capillary columns with very high resolution power, J. Chromatogr., 1980, 195, 1, 43-64, https://doi.org/10.1016/S0021-9673(00)81542-3 . [all data]

Soják, Hrivnák, et al., 1974
Soják, L.; Hrivnák, J.; Ostrovský, I.; Janák, J., Capillary Gas Chromatography of Linear Alkenes on Squalane. Separation and Identification of n-Pentadecenes and n-Hexadecenes, J. Chromatogr., 1974, 91, 613-622, https://doi.org/10.1016/S0021-9673(01)97942-7 . [all data]

Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [all data]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]

bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S., Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia, Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495 . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Short communication. Use of solid-phase micro-extraction as a sampling technique in the determination of volatiles emitted by flowers, isolated flower parts and pollen, J. Chromatogr. A, 2003, 998, 1-2, 229-233, https://doi.org/10.1016/S0021-9673(03)00641-1 . [all data]

Mimica-Dukic, Kujundzic, et al., 2003
Mimica-Dukic, N.; Kujundzic, S.; Sokovic, M.; Couladis, M., Essential oil composition and antifungal activity of Foeniculum vulgare Mill. obtained by different distillation conditions, Phytother. Res., 2003, 17, 4, 368-371, https://doi.org/10.1002/ptr.1159 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T., Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece, Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F . [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

Zaikin and Borisov, 2002
Zaikin, V.G.; Borisov, R.S., Chromatographic-mass spectrometric analysis of Fishcer-Tropsch synthesis products, J. Anal. Chem. USSR (Engl. Transl.), 2002, 57, 6, 544-551. [all data]

Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M., Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas), J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]

Sojak, Kubinec, et al., 2006
Sojak, L.; Kubinec, R.; Jurdakova, H.; Hajekova, E.; Bajus, M., GC-MS of polyethylene and polypropylene thermal cracking produxts, Petroleum Coal, 2006, 48, 1, 1-14. [all data]

Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C., Anti-Candida activity of Brazilian medicinal plants, J. Ethnopharmacol., 2005, 97, 2, 305-311, https://doi.org/10.1016/j.jep.2004.11.016 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Rout, Misra, et al., 2005
Rout, P.K.; Misra, R.; Sahoo, S.; Sree, A.; Rao, Y.R., Extraction of kewda (Pandanus fascicularis Lam.) flowers with hexane: composition of concrete, absolute and wax, Flavour Fragr. J., 2005, 20, 4, 442-444, https://doi.org/10.1002/ffj.1466 . [all data]

Morteza-Semnani, Saeedi, et al., 2002
Morteza-Semnani, K.; Saeedi, M.; Vahedi, M., Volatile constituents of Iranian Hypericum perfloratum L., Oriental J. Chem., 2002, 18, 3, 443-444. [all data]

Ramaroson-Raonizafinimanana, Gaydou, et al., 1997
Ramaroson-Raonizafinimanana, B.; Gaydou, E.M.; Bombarda, I., Hydrocarbons from three vanilla bean species: V. fragrans, V. madagascariensis, and V. tahitensis, J. Agric. Food Chem., 1997, 45, 7, 2542-2545, https://doi.org/10.1021/jf960927b . [all data]

Binder and French, 1994
Binder, R.G.; French, R.C., Volatile components of Canada thistle, J. Agric. Food Chem., 1994, 42, 12, 2942-2945, https://doi.org/10.1021/jf00048a056 . [all data]

Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H., Identification of volatile compounds resulting from the thermal oxidation of polyethylene, J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004 . [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Scribe, Ngoumbi-Nzouzi, et al., 1990
Scribe, P.; Ngoumbi-Nzouzi, J.-S.; Fuché, C.; Pèpe, C.; Saliot, A., Biogeochemistry of organic matter in Lake Geneva: I. Particulate hydrocarbons as biogenic and anthropogenic molecular markers, Hydrobiologia, 1990, 207, 1, 319-331, https://doi.org/10.1007/BF00041471 . [all data]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [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]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats, Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V., Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations, Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928 . [all data]

Mockute, Bernotiene, et al., 2003
Mockute, D.; Bernotiene, G.; Judzentiene, A., Volatile compounds of the aerial parts of wild St. John's wort (Hypericum perforatum L.) plants, Chemija, 2003, 14, 3, 108-111. [all data]

Morteza-Semnani and Vahedi, 2002
Morteza-Semnani, K.; Vahedi, M., Volatile constituents of Iranian Hypericum perforatum L., Proceedings of ICNP-2002 - Trabzon/Turkiye, 2002, 342-344. [all data]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N., Comparison of volatile emissions from undamaged and mechanically damaged almonds, J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224 . [all data]

Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M., Preliminary results of a recognition method visualizing the aroma and fragrance features, Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C, J. Agric. Food Chem., 1993, 41, 9, 1467-1470, https://doi.org/10.1021/jf00033a022 . [all data]

Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y., Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health, Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127 . [all data]

Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H., The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin, Flavour Fragr. J., 2006, 21, 3, 462-464, https://doi.org/10.1002/ffj.1670 . [all data]

Peng, Yang, et al., 1991
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]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I., Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants, J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004 . [all data]


Notes

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