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Hexadecanoic acid, ethyl ester

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Condensed phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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

Quantity Value Units Method Reference Comment
Deltacliquid-11368. ± 1.kJ/molCcbFreedman, Bagby, et al., 1989Corresponding «DELTA»fliquid = -860.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus297.7KN/ACheshko and Shvaika, 1971Uncertainty assigned by TRC = 2. K; TRC
Tfus297.15KN/APaquot, Sorba, et al., 1955Uncertainty assigned by TRC = 4. K; TRC
Tfus298.2KN/AWibaut, Overhoff, et al., 1943Uncertainty assigned by TRC = 2. K; melting point in capillary tube; TRC
Tfus295.2KN/AWibaut, Overhoff, et al., 1943Uncertainty assigned by TRC = 2. K; solidfication point; TRC
Tfus295.2KN/ABaker and Smyth, 1938Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
465.70.013Aldrich Chemical Company Inc., 1990BS
464.20.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
73.9444.AStephenson and Malanowski, 1987Based on data from 429. - 466. K.; AC
100.7308.MEStephenson and Malanowski, 1987Based on data from 298. - 318. K. See also Omar, 1967.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
150.8290.MEStephenson and Malanowski, 1987Based on data from 286. - 294. K. See also Omar, 1967.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
15.093296.35King and Garner, 1934DH
15.09296.4Domalski and Hearing, 1996AC
53.14296.Omar, 1967AC

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:


IR Spectrum

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

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

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

Spectrum

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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 Japan AIST/NIMC Database- Spectrum MS-NW-5396
NIST MS number 233204

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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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
CapillarySE-30160.1976.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1976.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1979.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1982.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11978.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-11978.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-11978.Takeoka, Buttery, et al., 199260. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-11978.Takeoka, Buttery, et al., 199260. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-11978.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-11978.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryOV-1011973.Shibamoto, Kamiya, et al., 1981N2, 1. K/min; Column length: 80. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011981.Shibamoto, Kamiya, et al., 1981N2, 1. K/min; Column length: 80. 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
CapillaryDB-51975.Andrade, Santos, et al., 199830. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 2C/min => 60C => 4C/min => 260C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351120.2240.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.2248.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.2245.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2259.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2257.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2273.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax2243.Umano, Shoji, et al., 1986N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M2227.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M2235.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax2270.Rezende and Fraga, 200330. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 5C/min => 150C => 8C/min => 240C(25min)

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

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Column type Active phase I Reference Comment
CapillaryHP-51994.Quijano, Salamanca, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min
CapillaryDB-51992.Rout, Rao, et al., 200725. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C
CapillarySPB-11968.Blagojevic, Radulovic, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryDB-51990.Blagojevic, Radulovic, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryHP-51994.Flamini, Tebano, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-51990.Javidnia, Miri, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryHP-5MS1993.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
CapillaryHP-5MS1996.Zhao, Liang, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 80. C; Tend: 290. C
CapillaryHP-5MS1995.7Zhao, Liang, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 290. C
CapillaryHP-5MS1995.7Zhao, Liang, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 80. C; Tend: 290. C
CapillarySPB-51993.Pino, Marbot, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-11966.Cavalli, Fernandez, et al., 200350. m/0.2 mm/0.33 «mu»m, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min
CapillaryHP-5MS1997.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
CapillaryCP Sil 5 CB1980.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillarySPB-51993.Pino, Marbot, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-5MS1978.Demetzos, Angelopoulou, et al., 200230. m/0.25 mm/0.25 «mu»m, 50. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryCP Sil 5 CB1983.Pino, Marbot, et al., 200250. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryHP-5MS1993.Shang, Hu, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryCP Sil 5 CB1981.Pino and Marbot, 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB1981.Pino, Marbot, et al., 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryDB-11975.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-11980.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-51991.Gómez, Ledbetter, et al., 1993He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryOV-11970.Tan, Holland, et al., 1988He, 8. K/min, 280. C @ 10. min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 40. C
CapillarySE-301978.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C
PackedSE-301979.van den Dool and Kratz, 1963Celite; Tstart: 75. C; Tend: 228. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1993.5Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryDB-5MS2013.Selli, Rannou, et al., 200630. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 5C/min => 200C => 8C/min => 260C(5min)
CapillaryHP-51999.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50C => 6C/min => 100C => 4C/min => 280C
CapillaryDB-5MS1991.Boulanger and Crouzet, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)
CapillaryDB-51992.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51997.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryHP-11985.Sing, Smadja, et al., 199250. m/0.32 mm/1.05 «mu»m, He; Program: 20C(0.5min) => 60C => 4C/min => 250C

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

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Column type Active phase I Reference Comment
CapillaryHP-Innowax2250.Quijano, Linares, et al., 200760. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
CapillaryHP-Wax2253.Flamini, Tebano, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-Wax2288.Gurbuz O., Rouseff J.M., et al., 200660. m/0.25 mm/0.25 «mu»m, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryCP-Wax 52CB2241.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-3512226.Bonvehí, 200550. m/0.32 mm/0.2 «mu»m, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-102215.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryZB-Wax2252.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 «mu»m, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillaryDB-Wax2220.Brat, Rega, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillarySupelcowax2276.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 4. K/min, 225. C @ 10. min
CapillarySupelcowax2280.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 4. K/min, 225. C @ 10. min
CapillaryAT-Wax2238.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryAT-Wax2224.Pino, Marbot, et al., 200260. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryAT-Wax2224.Pino and Marbot, 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryAT-Wax2224.Pino, Marbot, et al., 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillarySupelcowax-102256.Chung, 200060. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C
CapillarySupelcowax-102255.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax2246.Cha, Kim, et al., 199860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax2258.Iwaoka, Hagi, et al., 1994He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax2254.Umano, Hagi, et al., 1992He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M2205.Chen, Kuo, et al., 1986He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-3512246.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C
PackedCarbowax 20M2238.van den Dool and Kratz, 1963Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2251.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-Wax2259.Selli, Canbas, et al., 200630. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax2246.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C
CapillaryDB-Wax2259.Selli, Cabaroglu, et al., 200430. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax2241.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillaryDB-Wax2259.Boulanger and Crouzet, 200030. m/0.25 mm/0.25 «mu»m, H2; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDP-51978.Vijayakumar, Duraipandiyan, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min
CapillarySPB-11979.Lazarevic, Palic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryHP-5 MS1996.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-51996.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryDB-5 MS1994.Silva, Pott, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5 MS1994.Kim and Chung, 200930. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillarySLB-5 MS1993.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min
CapillarySE-302005.Loizzo, Tundis, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min
CapillaryHP-51996.Loizzo, Tundis, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min
CapillaryDB-51968.Moreno, Lima, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryDB-51981.Smelcerovic, Spiteller, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C
CapillaryElite-5MS1992.Tava, Pecetti, et al., 200730. m/0.32 mm/0.5 «mu»m, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min
CapillaryHP-1011971.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
CapillaryDB-51987.Rout, Misra, et al., 200525. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 200. C @ 80. min; Tstart: 60. C
CapillaryHP-51984.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-51990.Woerdenbag, Windono, et al., 200430. m/0.249 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryHP-51993.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51996.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-51994.Tellez, Khan, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51990.Palmeira, Conserva, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 270. C
CapillaryHP-5 MS1993.Shang, Hu, et al., 200130. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-51995.Bicalho, Pereira, et al., 200030. m/0.25 mm/0.25 «mu»m, H2, 40. C @ 10. min, 3. K/min, 280. C @ 10. min
CapillaryOV-1011978.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryHP-11979.Boatright and Crum, 199730. m/0.25 mm/0.1 «mu»m, He, 50. C @ 2. min, 5. K/min, 300. C @ 3. min
CapillaryHP-11979.Boatright and Crum, 199730. m/0.25 mm/0.1 «mu»m, He, 50. C @ 2. min, 5. K/min, 300. C @ 3. min
CapillaryCP Sil 5 CB1986.Bos, Woerdenbag, et al., 199725. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 300. C
CapillaryDB-11977.Peppard, 199230. m/0.25 mm/1.0 «mu»m, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C
CapillaryDB-11978.Peppard, 199230. m/0.25 mm/1.0 «mu»m, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C
CapillaryUltra-11974.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryDB-11975.Shiota, 199160. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryDB-11979.Shiota, 199160. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryDB-11978.Takeoka and Butter, 1989He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 210. C
CapillaryDB-11978.Takeoka and Butter, 1989He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 210. C
CapillaryMethyl Silicone1979.Lorenz, Stern, et al., 19834. K/min, 225. C @ 20. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillaryMethyl Silicone1980.Lorenz, Stern, et al., 19834. K/min, 225. C @ 20. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillarySE-301975.Alves and Jennings, 1979Helium, 2. K/min; Tstart: 70. C; Tend: 170. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1993.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1995.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryRTX-5 MS1992.Nadaf, Halimi, et al., 201215. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min)
CapillaryPolydimethyl siloxane with 5 % Ph groups1994.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1994.Robinson, Adams, et al., 2012Program: not specified
CapillaryVF-51991.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-51991.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-51992.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
CapillaryHP-51993.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: not specified
CapillaryHP-51996.Povolo, Pelizzola, et al., 200930. m/0.32 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 10 0C/min -> 280 0C (1 min) 3 0C/min -> 320 0C (20 min)
CapillaryBPX-52000.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-52000.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1995.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-5 MS1994.Watanabe, Ueda, et al., 200830. m/0.32 mm/1.0 «mu»m, Helium; Program: -10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min)
CapillaryHP-51992.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51993.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillarySPB-11979.Bosch-Fuste, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryDB-5 MS1993.Haznagy-Radnai, Szigle, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C
CapillarySPB-11978.Riu-Aumatell, Bosch-Fuste´, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-5MS1990.Tuberoso, Barra, et al., 200630. m/0.25 mm/0.25 «mu»m, He; Program: 60C => 3C/min => 180C => 250C (2min)
CapillaryMDN-51965.Jelen and Grabarkiewicz-Szczesna, 200530. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1993.Pino, Marbot, et al., 2005Program: not specified
CapillaryDB-5MS2000.Maia, Andrade, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 2C/min => 60C => 4C/min => 260C
CapillarySE-301980.Vinogradov, 2004Program: not specified
CapillaryHP-51997.Demyttenaere, Sánchez Martínez, et al., 200330. m/0.25 mm/0.25 «mu»m, He; Program: 35C => 5C/min => 220C => 10C/min => 240C(5min)
CapillaryHP-5MS1997.Demyttenaere, Sánchez Martínez, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 35C => 5C/min => 160C => 10C/min => 220C (10min)
CapillaryHP-5MS1996.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryHP-11984.Teai, Claude-Lafontaine, et al., 200150. m/0.32 mm/0.52 «mu»m, N2; Program: 40C => 2C/min => 130C => 4C/min => 250C
CapillaryDB-51976.Andrade, Maia, et al., 200030. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 2C/min => 60C => 4C/min => 260C
CapillaryHP-52005.Ansorena, Astiasarán, et al., 200030. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1979.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1981.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2261.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
CapillaryCP Wax 52 CB2207.Chen, Chyau, et al., 200760. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryTC-FFAP2261.Kurose, Okamura, et al., 2007He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 «mu»m; Tstart: 60. C
CapillaryTC-FFAP2263.Kurose and Yatagai, 200560. m/0.25 mm/0.4 «mu»m, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C
CapillaryDB-Wax2281.Qian and Wang, 200560. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min
CapillaryZB-Wax2243.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax2258.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2276.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax2256.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
CapillaryTC-Wax2245.Miyazawa and Okuno, 2003He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-Wax2257.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax2255.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryCP-Wax 52CB2229.Hwan and Chou, 199950. m/0.32 mm/0.22 «mu»m, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min
CapillaryInnowax2260.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryTC-Wax2256.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M2259.Lee, Chong, et al., 2012Program: not specified
CapillarySupelco CO Wax-102249.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)
CapillarySupelco CO Wax-102271.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax2243.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax2246.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySupelko CO Wax2271.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
CapillarySupelko CO Wax2271.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax2246.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax2274.Li, Tao, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)
CapillaryDB-Wax2246.Tao, Wenlai, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
CapillaryDB-Wax2248.Tao, Wenlai, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
CapillaryDB-Wax2274.Yongsheng, Hua, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min)
CapillarySupelcowax-102255.Bosch-Fuste, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryDB-Wax2274.Li, Tao, et al., 200730. m/0.32 mm/0.25 «mu»m, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)
CapillaryBP-202225.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryDB-Wax2246.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
CapillaryHP-Innowax2248.Quijano and Pino, 200660. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C
CapillarySupelcowax-102229.Riu-Aumatell, Bosch-Fuste´, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryHP Innowax FSP2262.Altintas, Kose, et al., 200460. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M2230.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC2262.Erdemoglu, Sener, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax2251.Selli, Cabaroglu, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min)
CapillaryNukol2235.López and Dufour, 2001N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min)
CapillarySupelcowax-102245.Miranda-Lopez, Libbey, et al., 199230. m/0.53 mm/0.25 «mu»m; Program: 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min)
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.2235.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1341.9Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-1342.6Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Freedman, Bagby, et al., 1989
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Cheshko and Shvaika, 1971
Cheshko, F.F.; Shvaika, T.N., Syntheses and Identification of Esters of Certain Mono- and Di-carboxylic Acids, Zh. Prikl. Khim., 1971, 44, 1107-16. [all data]

Paquot, Sorba, et al., 1955
Paquot, C.; Sorba, Mme.J.; Wieme, N., The Phys. Prop. of Aliphatic Esters Containing Eighteen Carbon Atoms, Ind. Chim. Belge., 1955, 20, Spec. No. 727. [all data]

Wibaut, Overhoff, et al., 1943
Wibaut, J.P.; Overhoff, J.; Jonker, E.W., On the Preparation of Some Hydrocarbons of the Mixed Aliphatic-Aromatic and Aliphatic-Alicyclic Type Containing 22 to 30 C-atoms, Recl. Trav. Chim. Pays-Bas, 1943, 62, 31. [all data]

Baker and Smyth, 1938
Baker, W.O.; Smyth, C.P., The Possibility of Molecular Rotation in the Solid Form of Cetyl Alcohol and Three Long-Chain Ethyl Esters, J. Am. Chem. Soc., 1938, 60, 1229. [all data]

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Weast and Grasselli, 1989
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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]

Omar, 1967
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Takeoka, G.; Perrino, C., Jr.; Buttery, R., Volatile constituents of used frying oils, J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m . [all data]

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Shibamoto, Kamiya, et al., 1981
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Umano, Shoji, et al., 1986
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Quijano, C.E.; Salamanca, G.; Pino, J.A., Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.), Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812 . [all data]

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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]

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Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

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Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba, Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187 . [all data]

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Notes

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