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

Acetic acid, decyl ester

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.


Phase change data

Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil517.15KN/AKomppa and Talvitie, 1932Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap70.2 ± 0.3kJ/molGSKrasnykh, Verevkin, et al., 2006Based on data from 284. - 321. K.; AC
Deltavap71.6kJ/molGCKoutek, Hoskovec, et al., 1997Based on data from 313. - 358. K. See also Ova, Koultek, et al., 2000.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
61.9378.AStephenson and Malanowski, 1987Based on data from 363. - 515. K.; AC
72.306.GCOlsson, J«65533»nsson, et al., 1983Based on data from 299. - 313. K.; AC
56.3460.DTAMeyer, Awe, et al., 1980Based on data from 445. - 530. K.; AC

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, Phase change 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, Phase change 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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 374914

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, Phase change 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-180.1389.27Mijin and Antonovic, 200630. m/0.256 mm/0.25 «mu»m, N2
CapillaryDB-580.1410.32Mijin and Antonovic, 200660. m/0.321 mm/0.25 «mu»m, N2
CapillarySE-30150.1391.Tudor and Moldovan, 1999 
CapillarySE-30100.1391.3Tudor, 199740. m/0.35 mm/0.35 «mu»m
CapillarySE-30140.1393.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1393.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1389.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1384.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillaryOV-101200.1389.2Komárek, Hornová, et al., 1982N2; Column length: 15. m; Column diameter: 0.22 mm
PackedSE-30150.1399.Bierl, Beroza, et al., 1972Column length: 3.0 m
PackedSE-30180.1385.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB1419.Tayoub, Schwob, et al., 200630. m/0.25 mm/0.25 «mu»m, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillaryCP Sil 8 CB1417.Tayoub, Schwob, et al., 2006, 230. m/0.25 mm/0.25 «mu»m, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillaryDB-11394.Takeoka, Buttery, et al., 199260. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1700.Tudor, Moldovan, et al., 1999Phase thickness: 0.45 «mu»m
CapillaryCarbowax 20M150.1688.Tudor, Moldovan, et al., 1999Phase thickness: 0.08 «mu»m
CapillaryOV-351140.1699.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1691.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1688.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.1713.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M180.1674.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1679.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M1670.Buttery, Kamm, et al., 1982He, 50. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5MS1409.Todua, 201130. m/0.25 mm/0.25 «mu»m, He; Tstart: 60. C; Tend: 270. C
CapillaryEquity-5MS1409.Belsito E.L., Carbone C., et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C
CapillarySPB-11395.Radulovic, Mananjarasoa, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryDB-51408.Choi, 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryMega 5MS1404.Verzera, Trozzi, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillarySPB-11394.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 «mu»m, 35. C @ 10. min, 4. K/min; Tend: 225. C
CapillaryDB-51408.Choi, 200330. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryMega 5MS1404.Verzera, Trozzi, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryDB-51408.Choi, Kim. M.-S.L., et al., 200230. m/0.25 mm/0.25 «mu»m, He, 70. C @ 2. min, 4. K/min, 230. C @ 20. min
CapillaryHP-51408.Aligiannis, Kalpoutzakis, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillarySPB-11397.Chisholm, Wilson, et al., 200115. m/0.25 mm/0.25 «mu»m, 35. C @ 3. min, 6. K/min, 225. C @ 10. min
CapillaryHP-51410.Shalit, Katzir, et al., 2001He, 50. C @ 1. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-51409.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 «mu»m, N2, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryMega 5MS1404.Verzera, la Rosa, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryMega 5MS1408.Verzera, Trozzi, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryOV-1011393.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011394.Yang, Sugisawa, et al., 1992N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
PackedSE-301395.van den Dool and Kratz, 1963Celite; Tstart: 75. C; Tend: 228. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1409.Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillarySE-521409.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 «mu»m, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1691.Choi, 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryMegawax1662.Verzera, Trozzi, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 6. min, 2. K/min, 220. C @ 10. min
CapillarySupelcowax1692.Chisholm, Wilson, et al., 200325. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 4. K/min, 225. C @ 10. min
CapillaryDB-Wax1691.Choi, 200360. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryMegawax1662.Verzera, Trozzi, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 6. min, 2. K/min, 220. C @ 10. min
CapillaryDB-Wax1683.Choi, Kim. M.-S.L., et al., 200260. m/0.25 mm/0.25 «mu»m, N2, 2. K/min, 230. C @ 20. min; Tstart: 70. C
CapillaryDB-Wax1690.Choi and Sawamura, 200060. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryMegawax1662.Verzera, Trozzi, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 6. min, 2. K/min, 220. C @ 10. min
CapillaryCarbowax 20M1676.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 «mu»m, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min
PackedCarbowax 20M1674.van den Dool and Kratz, 1963Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1393.Basta, Tzakou, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51406.Bertrand, Comte, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 250. C
CapillaryDB-51408.Choi, 200630. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-11389.Lan Phi N.T., Nishiyama C., et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-11390.Lan Phi N.T., Nishiyama C., et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-51410.Morteza-Semnani, Saeedi, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 4. min, 4. K/min; Tend: 260. C
CapillaryDB-11391.Sawamura, Onishi, et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-51409.Salehi, Sefidkon, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 4. min, 3. K/min; Tend: 220. C
CapillaryDB-11398.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-11398.Choi, 2003, 260. m/0.25 mm/0.25 «mu»m, He, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryOV-1011393.Yang, 2001N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryRSL-2001392.Jirovetz, Puschmann, et al., 200060. m/0.32 mm/0.25 «mu»m, H2, 6. K/min; Tstart: 40. C; Tend: 250. C
CapillaryDB-51389.Mitiku, Sawamura, et al., 200030. m/0.22 mm/0.25 «mu»m, N2, 70. C @ 2. min, 4. K/min, 230. C @ 20. min
CapillaryOV-1011391.Camciuc, Bessière, et al., 199850. m/0.22 mm/1. «mu»m, He, 100. C @ 1. min, 1. K/min; Tend: 220. C
CapillaryOV-1011393.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011394.Tamura, Yang, et al., 19932. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillarySPB-51412.King and Knight, 19928. K/min; Column length: 30. m; Phase thickness: 1.0 «mu»m; Tstart: 50. C; Tend: 250. C
CapillaryUltra-11391.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryOV-1011392.Yang and Sugisawa, 1990N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011393.Yang and Sugisawa, 1990N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011393.Sugisawa, Yamamoto, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-11394.Wahab, Aboutabl, et al., 198760. m/0.50 mm/1.2 «mu»m, Helium, 2. K/min; Tstart: 40. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51403.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryDB-11400.Mendes, Trindade, et al., 200930. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryBPX-51414.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-51411.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryBP-51418.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 «mu»m, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-51408.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 «mu»m, Helium; Program: not specified
CapillaryDB-51406.Hamm, Bleton, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C
CapillarySE-301393.Vinogradov, 2004Program: not specified
CapillaryOV-1011393.Krings, Banavara, et al., 2003Program: not specified
CapillaryOV-1011394.Yang, 2001N2; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1395.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.1400.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-Wax1677.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
CapillaryCarbowax 20M1687.Kafkas and Paydas, 200725. m/0.25 mm/0.40 «mu»m, Helium, 5. K/min, 260. C @ 40. min; Tstart: 60. C
CapillaryDB-Wax1691.Choi, 200660. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1678.Lan Phi N.T., Nishiyama C., et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1677.Lan Phi N.T., Nishiyama C., et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1680.Sawamura, Onishi, et al., 200660. m/0.25 mm/0.25 «mu»m, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1693.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1692.Choi, 2004, 260. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1671.Tu, Onishi, et al., 200260. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1669.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax1669.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryCarbowax 20M1670.Buttery, Kamm, et al., 19841. K/min, 170. C @ 30. min; Column length: 150. m; Column diameter: 0.64 mm; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1687.Akin, Saracoglu, et al., 201260. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C
CapillaryHP-Innowax FSC1687.Tabanca, Demirci, et al., 200660. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C
CapillaryCarbowax 20M1662.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC1687.Erdemoglu, Sener, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1662.Krings, Banavara, et al., 2003Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1674.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change 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.

Komppa and Talvitie, 1932
Komppa, G.; Talvitie, Y., The normal decyl series, J. Prakt. Chem., 1932, 135, 193-203. [all data]

Krasnykh, Verevkin, et al., 2006
Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates, The Journal of Chemical Thermodynamics, 2006, 38, 6, 717-723, https://doi.org/10.1016/j.jct.2005.08.003 . [all data]

Koutek, Hoskovec, et al., 1997
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Feltl, Ladislav, Gas chromatographic determination of vapour pressures of pheromone-like compounds IV. Acetates, a reinvestigation, Journal of Chromatography A, 1997, 759, 1-2, 93-109, https://doi.org/10.1016/S0021-9673(96)00775-3 . [all data]

Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M., Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [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]

Olsson, J«65533»nsson, et al., 1983
Olsson, Anne-Marie; J«65533»nsson, Jan «65533»ke; Thelin, Bernt; Liljefors, Tommy, Determination of the vapor pressures of moth sex pheromone components by a gas chromatographic method, J Chem Ecol, 1983, 9, 3, 375-385, https://doi.org/10.1007/BF00988456 . [all data]

Meyer, Awe, et al., 1980
Meyer, Edwin F.; Awe, Michael J.; Wagner, Robert E., Cohesive energies in polar organic liquids. 4. n-Alkyl acetates, J. Chem. Eng. Data, 1980, 25, 4, 371-374, https://doi.org/10.1021/je60087a030 . [all data]

Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G., The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns, J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M . [all data]

Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D., Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation, J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4 . [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates, J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7 . [all data]

Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101, J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4 . [all data]

Bierl, Beroza, et al., 1972
Bierl, B.A.; Beroza, M.; Aldridge, M.H., Effect of functional-group position on retention indices of six classes of compounds on four stationary phases, J. Chromatogr. Sci., 1972, 10, 12, 712-715, https://doi.org/10.1093/chromsci/10.12.712 . [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J., Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages, Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008 . [all data]

Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J., Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France, Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731 . [all data]

Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040 . [all data]

Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 1999, 44, 7, 665-675. [all data]

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of alfalfa flowers and pods, J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028 . [all data]

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Belsito E.L., Carbone C., et al., 2007
Belsito E.L.; Carbone C.; Di Gioia M.L.; Leggio A.; Liguoiri A.; Perri F.; Siciliano C.; Viscomi M.C., Comparison of the volatile constituents in cold-pressed bergamot oil and a volatile oil isolated by vacuum distillation, J. Agric. Food Chem., 2007, 55, 19, 7847-7851, https://doi.org/10.1021/jf070997q . [all data]

Radulovic, Mananjarasoa, et al., 2006
Radulovic, N.; Mananjarasoa, E.; Harinantenaina, L.; Yoshinori, A., Essential oil composition of four Croton species from Madagascar and their chemotaxonomy, Biochem. Syst. Ecol., 2006, 34, 8, 648-653, https://doi.org/10.1016/j.bse.2006.02.005 . [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Verzera, Trozzi, et al., 2005
Verzera, A.; Trozzi, A.; Zappala, M.; Condurso, C.; Cotroneo, A., Essential Oil Composition of Citrus meyerii Y. Tan. and Citrus medica L. cv. Diamante and Their Lemon Hybrids, J. Agric. Food Chem., 2005, 53, 12, 4890-4894, https://doi.org/10.1021/jf047879c . [all data]

Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A., Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil, J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872 . [all data]

Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M., Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant, Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038 . [all data]

Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Mitaku, S.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of two Origanum species, J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m . [all data]

Chisholm, Wilson, et al., 2001
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.; Jell, J.A.; Cass, D.M., Jr., Chapter 9. The identification of aroma compounds in key lime oil using solid-phase microextraction and gas chromatography-olfactometry, Am. Chem. Soc. Symp. Ser., 2001, 782, 100-112. [all data]

Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E., Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits, J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p . [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Ido, A.; Ukeda, H., Quantitative determination and characteristic flavour of daidai (Citrus aurantium L. var. cyathifera Y. Tanaka) peel oil, Flavour Fragr. J., 2000, 15, 5, 323-328, https://doi.org/10.1002/1099-1026(200009/10)15:5<323::AID-FFJ918>3.0.CO;2-J . [all data]

Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A., Essential oil composition of different cultivars of bergamot grown in Sicily, Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]

Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E., Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils, J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z . [all data]

Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Basta, Tzakou, et al., 2007
Basta, A.; Tzakou, O.; Couladis, M.; Yannitsaros, A., Essential oil composition of Prasium majus L. from Greece, Flavour Fragr. J., 2007, 22, 5, 347-349, https://doi.org/10.1002/ffj.1802 . [all data]

Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F., Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species, Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005 . [all data]

Choi, 2006
Choi, H.-S., Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb, Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602 . [all data]

Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M., Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil, Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705 . [all data]

Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K., The essential oil composition of Onosma microcarpum DC., Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597 . [all data]

Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L., Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil, Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604 . [all data]

Salehi, Sefidkon, et al., 2005
Salehi, P.; Sefidkon, F.; Bazzaz Tolami, L.; Sonboli, A., Essential oil composition of Salvia palaestina Benth. from Iran, Flavour Fragr. J., 2005, 20, 5, 525-527, https://doi.org/10.1002/ffj.1448 . [all data]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Choi, 2003, 2
Choi, H.-S., Characterization of citrus unshiu (C. unshiu Marcov. forma Miyagawa-wase) blossom aroma by solid-phase microextraction in conjunction with an electronic nose, J. Agric. Food Chem., 2003, 51, 2, 418-423, https://doi.org/10.1021/jf0114280 . [all data]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G., Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria, Flavour Fragr. J., 2000, 15, 6, 434-437, https://doi.org/10.1002/1099-1026(200011/12)15:6<434::AID-FFJ935>3.0.CO;2-0 . [all data]

Mitiku, Sawamura, et al., 2000
Mitiku, S.B.; Sawamura, M.; Itoh, T.; Ukeda, H., Volatile components of peel cold-pressed oils of two cultivars of sweet orange (Citrus sinensis (L.) Osbeck) from Ethiopia, Flavour Fragr. J., 2000, 15, 4, 240-244, https://doi.org/10.1002/1099-1026(200007/08)15:4<240::AID-FFJ902>3.0.CO;2-F . [all data]

Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A., Volatile components in okra seed coat, Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8 . [all data]

Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H., Aroma profiles of peel oils of acid citrus, ACS Sym. Ser., 1993, 525, 121-136. [all data]

King and Knight, 1992
King, J.R.; Knight, R.J., Volatile components of the leaves of various avocado cultivars, J. Agric. Food Chem., 1992, 40, 7, 1182-1185, https://doi.org/10.1021/jf00019a020 . [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]

Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H., Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice, Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946 . [all data]

Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N., The comparison of volatile components in peel oil from four species of navel orange, Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455 . [all data]

Wahab, Aboutabl, et al., 1987
Wahab, S.M.A.; Aboutabl, E.A.; El-Zalabani, S.M.; DePooter, H.L.; Al-Fallaha, B., The essential oil of olibanum, Planta Medica, 1987, 53, 04, 382-384, https://doi.org/10.1055/s-2006-962745 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G., Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens, Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006 . [all data]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J., Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS), J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012 . [all data]

Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A., A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples, Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025 . [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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Kafkas and Paydas, 2007
Kafkas, E.; Paydas, S., Evaluation and identification of volatile compounds of some promising strawberry genotypes using HS-SPME technique by GC-MS, World J. Agric. Sci., 2007, 3, 2, 191-195. [all data]

Choi, 2004, 2
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Tu, Onishi, et al., 2002
Tu, N.T.M.; Onishi, Y.; Choi, H.-S.; Kondo, Y.; Bassore, S.M.; Ukeda, H.; Sawamura, M., Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil, J. Agric. Food Chem., 2002, 50, 10, 2908-2913, https://doi.org/10.1021/jf011578a . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s . [all data]

Buttery, Kamm, et al., 1984
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of red clover leaves, flowers, and seed pods: possible insect attractants, J. Agric. Food Chem., 1984, 32, 2, 254-256, https://doi.org/10.1021/jf00122a019 . [all data]

Akin, Saracoglu, et al., 2012
Akin, M.; Saracoglu, H.T.; Demirci, B.; Baser, K.H.C., Chemical composition and antibacterial activity of essential oils from different parts of Buplerum rotundifolium L., Rec. Nat. Prod., 2012, 6, 3, 316-320. [all data]

Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Can Baser, K.H.; Aytac, Z.; Ekici, M.; Khan, S.I.; Jacob, M.R.; Wedge, D.E., Chemical Composition and Antifungal Activity of Salvia macrochlamys and Salvia recognita Essential Oils, J. Agric. Food Chem., 2006, 54, 18, 6593-6597, https://doi.org/10.1021/jf0608773 . [all data]

Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C., The glycosidically bound volatile compounds of Taxus baccata, Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960 . [all data]


Notes

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