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

Octadecanoic acid

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.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction 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:
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-891. ± 2.kJ/molCcbLebedeva, 1964Hfusion =10.81±0.10 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-11280.1 ± 1.9kJ/molCcbAdriaanse, Dekker, et al., 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -11279.4 ± 1.9 kJ/mol; Hfusion=63.0 kJ/mol; Corresponding «DELTA»fliquid = -948.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-11336.8 ± 2.1kJ/molCcbLebedeva, 1964Hfusion =10.81±0.10 kcal/mol; Corresponding «DELTA»fliquid = -891.28 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid-912. ± 11.kJ/molCcbMedard and Thomas, 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -897.9 kJ/mol; Author's hf291_condensed=-223.8 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-11290.79kJ/molCcbShkaraputa, Danilenko, et al., 1984Corresponding «DELTA»fsolid = -937.33 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-11271. ± 13.kJ/molCcbSwain, Silbert, et al., 1964Corresponding «DELTA»fsolid = -956.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-11316. ± 11.kJ/molCcbMedard and Thomas, 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -11331.9 kJ/mol; Author's hf291_condensed=-223.8 kcal/mol; Corresponding «DELTA»fsolid = -912.07 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-11298.kJ/molCcbEmery and Benedict, 1911Corresponding «DELTA»fsolid = -930. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar435.6J/mol*KN/ASingleton, Ward, et al., 1950Extrapolation below 90 K, 64.4 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
501.55298.15Schaake, van Miltenburg, et al., 1982T = 80 to 355 K.; DH
561.9298.15Singleton, Ward, et al., 1950T = 154 to 350 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction 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 - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tboil634.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil631.15KN/AKrafft, 1880Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus341. ± 3.KAVGN/AAverage of 31 out of 32 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple342.49KN/ASchaake, van Miltenburg, et al., 1982, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple341.85KN/ASpizzichino, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Ttriple342.65KN/ASingleton, Ward, et al., 1950, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Ptriple4.2663×10-8barN/ASpizzichino, 1956Uncertainty assigned by TRC = 1.9998×10-8 bar; TRC
Quantity Value Units Method Reference Comment
Tc805.09KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3.5 K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc13.2658barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.85 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltasub204. ± 9.kJ/molTPDCappa, Lovejoy, et al., 2008AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
124.3364.AStephenson and Malanowski, 1987Based on data from 349. - 415. K.; AC
100.6472.AStephenson and Malanowski, 1987Based on data from 457. - 649. K.; AC
118.9 ± 2.0379.ME,TEde Kruif, Schaake, et al., 1982Based on data from 366. - 389. K.; AC
79.8515.ICramer, 1943AC

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
446.9 - 643.5.725443348.131-57.825Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
158.5291. - 309.TPTDChattopadhyay and Ziemann, 2005AC
158.296. - 319.TPTDChattopadhyay, Tobias, et al., 2001Experimental values based on the TPTD method are often inconsistent with values determined using other experimental methods; AC
166.5 ± 4.2336.MEDavies and Malpass, 1961Based on data from 331. - 340. K. See also Cox and Pilcher, 1970, 2.; AC
167. ± 4.2330.89VDavies and Malpass, 1961, 2ALS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
61.300342.75N/ASato, Yoshimoto, et al., 1990DH
60.4338.3N/AMoore, Koelmel, et al., 2007AC
63.2342.8DSCMoreno, Cordobilla, et al., 2007AC
57.8344.1DSCTeixeira, Gonçalves da Silva, et al., 2006AC
50.93340.2ACYu, Meng, et al., 2000AC
61.21342.5N/ADomalski and Hearing, 1996AC
68.450342.65N/ASingleton, Ward, et al., 1950DH
64.643326.1N/AEykman, 1889DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
178.8342.75Sato, Yoshimoto, et al., 1990DH
1998.342.65Singleton, Ward, et al., 1950DH
198.326.1Eykman, 1889DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
61.208342.49crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
178.12342.49crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH

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, Condensed phase thermochemistry data, 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: H.Y. Afeefy, J.F. Liebman, and S.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

Oleic Acid + Hydrogen = Octadecanoic acid

By formula: C18H34O2 + H2 = C18H36O2

Quantity Value Units Method Reference Comment
Deltar-123.6 ± 1.6kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane; Authors gave two values
Deltar-125.1 ± 0.8kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane; Authors gave two values

2Hydrogen + Linoelaidic acid = Octadecanoic acid

By formula: 2H2 + C18H32O2 = C18H36O2

Quantity Value Units Method Reference Comment
Deltar-248.8 ± 0.5kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane

3Hydrogen + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- = Octadecanoic acid

By formula: 3H2 + C18H30O2 = C18H36O2

Quantity Value Units Method Reference Comment
Deltar-380.2 ± 1.9kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane

9-Octadecenoic acid, (E)- + Hydrogen = Octadecanoic acid

By formula: C18H34O2 + H2 = C18H36O2

Quantity Value Units Method Reference Comment
Deltar-120.2 ± 2.0kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane

2Hydrogen + 9,12-Octadecadienoic acid (Z,Z)- = Octadecanoic acid

By formula: 2H2 + C18H32O2 = C18H36O2

Quantity Value Units Method Reference Comment
Deltar-254.4 ± 1.5kJ/molChydRogers, Hoyte, et al., 1978liquid phase; solvent: Hexane

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 Spec Data Center, S.E. Stein, 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, 1998.
NIST MS number 290961

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, Reaction thermochemistry 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 Spec Data Center, S.E. Stein, director

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-12179.Raina, Verma, et al., 200625. m/0.32 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C
CapillaryBP-12161.Srivastava, Srivastava, et al., 200630. m/0.32 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C
CapillarySPB-12192.Nagarajan, Rao, et al., 200130. m/0.32 mm/0.25 «mu»m, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-12170.Khan, Srivastava, et al., 200325. m/0.25 mm/0.25 «mu»m, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min)
CapillaryDB-5MS2170.Maia, Andrade, et al., 200030. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 2C/min => 60C => 4C/min => 260C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS2188.Benkaci-Ali, Baaliouamer, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
CapillaryDB-52158.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-52162.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-12187.Rezazadeh, Hamedani, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-52178.Rezazadeh, Hamedani, et al., 200625. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5MS2180.Vujisic L., Vuckovic I., et al., 200630. m/0.25 mm/0.25 «mu»m, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C
CapillaryDB-52180.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryDB-52166.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-5MS2172.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
CapillarySE-302174.Tundis, Passalacqua, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 3. min, 16. K/min, 280. C @ 10. min
CapillaryDB-52157.Wu, Zorn, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillarySPB-52172.Píno, Marbot, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-52172.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
CapillarySPB-52173.Pino, Marbot, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-52172.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-52164.Flamini, Cioni, et al., 200230. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillarySPB-52172.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-5MS2178.Skaltsa, Mavrommati, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryUltra-12139.Richmond and Pombo-Villar, 199825. m/0.32 mm/0.52 «mu»m, He, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryDB-12142.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryUltra-12138.54Richmond and Pombo-Villar, 199725. m/0.32 mm/0.52 «mu»m, 15. K/min, 320. C @ 10. min; Tstart: 35. C
PackedSE-302175.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-52180.Özel, Gögüs, et al., 2006Program: not specified
CapillaryDB-52200.Beaulieu and Grimm, 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)
CapillaryHP-12137.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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax3181.Chung, Eiserich, et al., 1994He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-Wax3136.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS2177.Xu, Han, et al., 201230. m/0.25 mm/0.25 «mu»m, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS2177.Xu, Han, et al., 201230. m/0.25 mm/0.25 «mu»m, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryDB-5 MS2159.Stojanovic, RAdulovic, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-5 MS2161.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-12143.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryOV-12153.Nibret and Wink, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min
CapillaryHP-5 MS2163.Radulovic, Blagojevic, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-12137.Wetwiayaklung, Thavanapong, et al., 200925. m/0.32 mm/0.17 «mu»m, 50. C @ 5. min, 1. K/min, 260. C @ 5. min
CapillaryHP-5 MS2177.Xu, Han, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS2177.Xu, Han, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryPE-52173.Pandey-Rai S., Mallavarapu G.R., et al., 200650. m/0.32 mm/0.25 «mu»m, He, 100. C @ 1. min, 3. K/min; Tend: 280. C
CapillaryDB-52169.Senatore, Landolfi, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-52167.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillarySPB-52180.Pino, Marbot, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-52169.Senatore, Apostolides Arnold, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-52157.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-52158.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-52160.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-52162.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryHP-52181.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-52178.JAvidnia, Mojab, et al., 200425. m/0.25 mm/0.25 «mu»m, Nitrogen, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-52172.Pino, Marbot, et al., 2003, 230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
CapillarySPB-52180.Pino, Marbot, et al., 2002, 230. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-52170.Palmeira, Conserva, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 270. C
CapillaryMethyl Silicone2137.Vendramini and Trugo, 200050. m/0.25 mm/0.5 «mu»m, H2, 40. C @ 0.5 min, 4. K/min; Tend: 260. C
CapillaryHP-12152.Lopes, Koketsu, et al., 199925. m/0.32 mm/0.17 «mu»m, H2, 40. C @ 5. min, 3. K/min; Tend: 260. C
CapillaryDB-5MS2168.Zoghbi, Andrade, et al., 199930. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryCross-Linked Methylsilicone2142.Bravo and Hotchkiss, 1993He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C
CapillaryUltra-12155.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillarySE-542178.Bestmann, Classen, et al., 1988N2, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-5 MS2161.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)
CapillarySiloxane, 5 % Ph2155.VOC BinBase, 2012Program: not specified
Capillary 2180.Karimi, Farmany, et al., 2011Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl2155.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryDB-52200.Yusuf and Bewaji, 2011Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-12187.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-12139.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)
CapillaryHP-12137.Wetwiayaklung, Thavanapong, et al., 200925. m/0.32 mm/0.17 «mu»m; Program: not specified
CapillaryHP-52162.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-52164.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryHP-5MS2172.Formisano C., Senatore F., et al., 200630. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryHP-5MS2180.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
CapillaryPolydimethyl siloxane with 5 % Ph groups2173.Pino, Marbot, et al., 2005, 2Program: not specified
CapillaryHP-52177.Ansorena, Astiasarán, et al., 200030. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryUltra-12140.Richmond and Pombo-Villar, 199825. m/0.32 mm/0.52 «mu»m, He; Program: not specified
OtherMethyl Silicone2174.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax3132.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryTC-WAX FFS3120.Miyazawa, Maehara, et al., 2002He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillaryTC-Wax3130.Miyazawa, Kurose, et al., 2001He, 4. K/min, 250. C @ 47. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-Wax3104.Hatsuko, Kazuko, et al., 1992He, 60. C @ 10. min, 3. K/min; Column length: 30. 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
CapillaryDB-FFAP3181.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax3090.Hatsuko, Kazuko, et al., 1992He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS352.98Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-1366.9Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-5350.9Donnelly, 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
CapillaryLM-5351.12Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)

References

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

Lebedeva, 1964
Lebedeva, N.D., Heats of combustion of monocarboxylic acids, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]

Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J., Heats of combustion of normal saturated fatty acids and their methyl esters, Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [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]

Medard and Thomas, 1952
Medard, L.; Thomas, M., Determination des chaleurs de combustion de douze composes organiques utilises dans les poudres et enplosies, Mem. Poudres, 1952, 34, 421-442. [all data]

Shkaraputa, Danilenko, et al., 1984
Shkaraputa, L.N.; Danilenko, V.V.; Sklyar, V.T.; Kendis, M.Sh.; Ratushnaya, V.I., Changes in enthalpy in the reaction of stearic acid with dextramine, Neftepererab. Neftekhim. (Moscow), 1984, 27, 31-32. [all data]

Swain, Silbert, et al., 1964
Swain, H.A., Jr.; Silbert, L.S.; Miller, J.G., The heats of combustion of aliphatic long chain peroxyacids, t-butyl peroxyesters, and related acids and esters, J. Am. Chem. Soc., 1964, 86, 2562-2566. [all data]

Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G., The heat of combustion of compounds of physiological importance, Am. J. Physiol., 1911, 28, 301-307. [all data]

Singleton, Ward, et al., 1950
Singleton, W.S.; Ward, T.L.; Dollear, F.G., Physical properties of fatty acids. I. Some dilatometric and thermal properties of stearic acid in two polymorphic forms, J. Am. Oil Chem. Soc., 1950, 27, 143-146. [all data]

Schaake, van Miltenburg, et al., 1982
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of the normal alkanoic acids. II. Molar heat capacities of seven even-numbered normal alkanoic acids, J. Chem. Thermodynam., 1982, 14, 771-778. [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]

Krafft, 1880
Krafft, F., The production of laurinaldehyde c(12)h(24)o, myristinaldehyde c(14)h(28)o, palmitinaldehyde c(16)h(32)o, stearinaldehyde c(18)h(36)o: I investigation of aldehydes, Ber. Dtsch. Chem. Ges., 1880, 13, 1413-8. [all data]

Schaake, van Miltenburg, et al., 1982, 2
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of the normal alkanoic acids. II. Molar heat capacities of seven even-numbered normal alkanoic acids., J. Chem. Thermodyn., 1982, 14, 771-8. [all data]

Spizzichino, 1956
Spizzichino, C., Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure, J. des Recherches du C.N.R.S., 1956, 34, 1-24. [all data]

Singleton, Ward, et al., 1950, 2
Singleton, W.S.; Ward, T.L.; Dollear, F.G., Physical Properties of Fatty Acids I. Some Dilatometric and Thermal Properties of Stearic Acid in Two Polymorphic Forms, J. Am. Oil Chem. Soc., 1950, 27, 143. [all data]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [all data]

Cappa, Lovejoy, et al., 2008
Cappa, Christopher D.; Lovejoy, Edward R.; Ravishankara, A.R., Evaporation Rates and Vapor Pressures of the Even-Numbered C 8 -C 18 Monocarboxylic Acids, J. Phys. Chem. A, 2008, 112, 17, 3959-3964, https://doi.org/10.1021/jp710586m . [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]

de Kruif, Schaake, et al., 1982
de Kruif, C.G.; Schaake, R.C.F.; van Miltenburg, J.C.; van der Klauw, K.; Blok, J.G., Thermodynamic properties of the normal alkanoic acids III. Enthalpies of vaporization and vapour pressures of 13 normal alkanoic acids, The Journal of Chemical Thermodynamics, 1982, 14, 8, 791-798, https://doi.org/10.1016/0021-9614(82)90176-8 . [all data]

Cramer, 1943
Cramer, K.S.N., Chem. Zentr. II, 1943, 2234. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Chattopadhyay and Ziemann, 2005
Chattopadhyay, Sulekha; Ziemann, Paul J., Vapor Pressures of Substituted and Unsubstituted Monocarboxylic and Dicarboxylic Acids Measured Using an Improved Thermal Desorption Particle Beam Mass Spectrometry Method, Aerosol Science and Technology, 2005, 39, 11, 1085-1100, https://doi.org/10.1080/02786820500421547 . [all data]

Chattopadhyay, Tobias, et al., 2001
Chattopadhyay, Sulekha; Tobias, Herbert J.; Ziemann, Paul J., A Method for Measuring Vapor Pressures of Low-Volatility Organic Aerosol Compounds Using a Thermal Desorption Particle Beam Mass Spectrometer, Anal. Chem., 2001, 73, 16, 3797-3803, https://doi.org/10.1021/ac010304j . [all data]

Davies and Malpass, 1961
Davies, Mansel; Malpass, V.E., 212. Heats of sublimation of straight-chain monocarboxylic acids, J. Chem. Soc., 1961, 1048, https://doi.org/10.1039/jr9610001048 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Davies and Malpass, 1961, 2
Davies, M.; Malpass, V.E., Heats of sublimation of straight-chain monocarboxylic acids, J. Chem. Soc., 1961, 1048-10. [all data]

Sato, Yoshimoto, et al., 1990
Sato, K.; Yoshimoto, N.; Suzuki, M.; Kobayashi, M.; Kaneko, F., Structure and transformation in polymorphism of petroselinic acid (cis-w-12-octadecenoic acid), J. Phys. Chem., 1990, 94, 3180-3185. [all data]

Moore, Koelmel, et al., 2007
Moore, David J.; Koelmel, Donald; Laura, Donna; Bedford, Eilidh, Infrared spectroscopy and differential scanning calorimetry studies of binary combinations of cis-6-octadecenoic acid and octadecanoic acid, Chemistry and Physics of Lipids, 2007, 150, 1, 109-115, https://doi.org/10.1016/j.chemphyslip.2007.06.217 . [all data]

Moreno, Cordobilla, et al., 2007
Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Cuevas-Diarte, M.A.; Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Oonk, Harry A.J., Polymorphism of even saturated carboxylic acids from n-decanoic to n-eicosanoic acid, New J. Chem., 2007, 31, 6, 947, https://doi.org/10.1039/b700551b . [all data]

Teixeira, Gonçalves da Silva, et al., 2006
Teixeira, A.C.T.; Gonçalves da Silva, A.M.P.S.; Fernandes, A.C., Phase behaviour of stearic acid--stearonitrile mixtures, Chemistry and Physics of Lipids, 2006, 144, 2, 160-171, https://doi.org/10.1016/j.chemphyslip.2006.09.001 . [all data]

Yu, Meng, et al., 2000
Yu, S.; Meng, S.; Tan, Z.; Li, L.; Zhang, J., Taiyangneng Xuebao, 2000, 21, 2, 171. [all data]

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

Eykman, 1889
Eykman, J.F., Zur kryoskopischen Molekulargewichtsbestimmung, Z. Physik. Chem., 1889, 4, 497-519. [all data]

Rogers, Hoyte, et al., 1978
Rogers, D.W.; Hoyte, O.P.A.; Ho, R.K.C., Heats of hydrogenation of large molecules. Part 2. Six unsaturated and polyunsaturated fatty acids, J. Chem. Soc. Faraday Trans. 1, 1978, 74, 46-52. [all data]

Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K., Essential oil composition of Murraya exotica from the plains of northern India, Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547 . [all data]

Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V., Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India, Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680 . [all data]

Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Guirudutt, K.N., Chemical composition of the volatiles of Decalepis hamiltonii (Wight Arn), Flavour Fragr. J., 2001, 16, 1, 27-29, https://doi.org/10.1002/1099-1026(200101/02)16:1<27::AID-FFJ937>3.0.CO;2-F . [all data]

Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K., Chemical composition of fruit and stem essential oils of Lantana camara from northern India, Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197 . [all data]

Maia, Andrade, et al., 2000
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Volatile constituents of the leaves, fruits and flowers of cashew ( Anacardium occidentaleL.), J. Food Comp. Anal., 2000, 13, 3, 227-232, https://doi.org/10.1006/jfca.2000.0894 . [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica, Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758 . [all data]

Rezazadeh, Hamedani, et al., 2006
Rezazadeh, S.; Hamedani, M.P.; Dowlatabadi, R.; Yazdani, D.; Shafiee, A., Chemical composition of the essential oils of Stachys schtschegleevii Sosn. and Stachys balansae Boiss Kotschy from Iran, Flavour Fragr. J., 2006, 21, 2, 290-293, https://doi.org/10.1002/ffj.1587 . [all data]

Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S., Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia, Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681 . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [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]

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

Tundis, Passalacqua, et al., 2005
Tundis, R.; Passalacqua, N.G.; Peruzzi, L.; Statti, G.A.; Bonesi, M.; Loizzo, M.R.; Conforti, F.; Cesca, G.; Menichini, F., Comparative chemical variability of the non-polar extracts from Senecio cineraria group (Asteraceae), Biochem. Syst. Ecol., 2005, 33, 10, 1071-1076, https://doi.org/10.1016/j.bse.2005.02.009 . [all data]

Wu, Zorn, et al., 2005
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Characteristic Volatiles from Young and Aged Fruiting Bodies of Wild Polyporus sulfureus (Bull.:Fr.) Fr., J. Agric. Food Chem., 2005, 53, 11, 4524-4528, https://doi.org/10.1021/jf0478511 . [all data]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Pino, Marbot, et al., 2004, 2
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]

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]

Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I., Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis, J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x . [all data]

Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

Richmond and Pombo-Villar, 1998
Richmond, R.; Pombo-Villar, E., Short communication. Use of persistent trace gas chromatography artifacts for the calculation of pseudo-Sadtler retention indices, J. Chromatogr. A, 1998, 811, 1-2, 241-245, https://doi.org/10.1016/S0021-9673(98)00285-4 . [all data]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]

Richmond and Pombo-Villar, 1997
Richmond, R.; Pombo-Villar, E., Short communication. Gas chromatography-mass spectrometry coupled with pseudo-Sadtler retention indices, for the identification of components in the essential oil of Curcuma longa L., J. Chromatogr. A, 1997, 760, 2, 303-308, https://doi.org/10.1016/S0021-9673(96)00802-3 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P., Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.), J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024 . [all data]

Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds produced from peanut oil heated with different amounts of cysteine, J. Agric. Food Chem., 1994, 42, 8, 1743-1746, https://doi.org/10.1021/jf00044a032 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]

Stojanovic, RAdulovic, et al., 2011
Stojanovic, I.Z.; RAdulovic, N.S.; Mitrovic, Y.L.J.; Stamenkovic, S.M.; Stojanovic, G.S., Volatile constituents of selected Parmeliaceae lichens, J. Serb. Chem. Soc., 2011, 76, 7, 987-994, https://doi.org/10.2298/JSC101004087S . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Nibret and Wink, 2009
Nibret, E.; Wink, M., Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities, Phytomedicine, 2009, 00, 0, 000-000. [all data]

Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M., Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov, J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014 . [all data]

Pandey-Rai S., Mallavarapu G.R., et al., 2006
Pandey-Rai S.; Mallavarapu G.R.; Naqvi A.A.; Yadav A.; Rai S.K.; Srivastava S.; Singh D.; Mishra R.; Kumar S., Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi, Flavour Fragr. J., 2006, 21, 3, 427-430, https://doi.org/10.1002/ffj.1606 . [all data]

Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M., Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily, Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585 . [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]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

JAvidnia, Mojab, et al., 2004
JAvidnia, K.; Mojab, F.; Mojahedi, S.A., Chemical constituents of the essential oil of Stachys lavandulifolia Vahl from Iran, Iranian J. Pharm. Res., 2004, 3, 61-63. [all data]

Pino, Marbot, et al., 2003, 2
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]

Palmeira, Conserva, et al., 2001
Palmeira, S.F., Jr.; Conserva, L.M.; Andrade, E.H.A.; Guilhon, G.M.S.P., Analysis by GC-MS of the hexane extract of the aerial parts of Aristolochia acutifolia Duchtr., Flavour Fragr. J., 2001, 16, 2, 85-88, https://doi.org/10.1002/1099-1026(200103/04)16:2<85::AID-FFJ948>3.0.CO;2-2 . [all data]

Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C., Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity, Food Chem., 2000, 71, 2, 195-198, https://doi.org/10.1016/S0308-8146(00)00152-7 . [all data]

Lopes, Koketsu, et al., 1999
Lopes, D.; Koketsu, M.; Carauta, J.P.P.; de Oliveira, R.R.; Kaplan, M.A.C., Chemical composition of Pourouma guianensis Aublet essential oils, Flavour Fragr. J., 1999, 14, 4, 233-236, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<233::AID-FFJ813>3.0.CO;2-L . [all data]

Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum., Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U . [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]

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]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]

Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M., Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS, Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H., Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model, World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., GC-MS of volatile components of fermented wheat germ extract, J. Cereals Oilseeds, 2011, 2, 3, 38-42. [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]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Formisano C., Senatore F., et al., 2006
Formisano C.; Senatore F.; Bruno M.; Bellone G., Chemical composition and antimicrobial activity of the essential oil of Phlomis ferruginea Ten. (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2006, 21, 5, 848-851, https://doi.org/10.1002/ffj.1740 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Pino, Marbot, et al., 2005, 2
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

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

Miyazawa, Maehara, et al., 2002
Miyazawa, M.; Maehara, T.; Kurose, K., Composition of the essential oil from the leaves of Eruca sativa, Flavour Fragr. J., 2002, 17, 3, 187-190, https://doi.org/10.1002/ffj.1079 . [all data]

Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N., Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan, J. Agric. Food Chem., 2001, 49, 11, 5433-5436, https://doi.org/10.1021/jf010219c . [all data]

Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I., Improvement of quality of likorine extract by heat treatment, J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976 . [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [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]

Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M., Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil, Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006 . [all data]


Notes

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