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2-Pentadecanone, 6,10,14-trimethyl-

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Condensed phase thermochemistry data

Go To: Top, Phase change data, 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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-626.1 ± 2.3kJ/molCcbGadzhiev, Gubareva, et al., 1983Author's hf298_condensed=-631.41; ALS
Deltafliquid-631.4 ± 9.2kJ/molCcbGadzhiev, Kerimov, et al., 1982ALS
Quantity Value Units Method Reference Comment
Deltacliquid-11602.0 ± 5.2kJ/molCcbGadzhiev, Gubareva, et al., 1983Author's hf298_condensed=-631.41; Corresponding «DELTA»fliquid = -626.08 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-11596.7kJ/molCcbGadzhiev, Kerimov, et al., 1982Corresponding «DELTA»fliquid = -631.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
593.3293.85Baglay, Gurariy, et al., 1988T = 270 to 340 K. Unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, 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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
56.0 ± 0.6451.Baglay, Gurariy, et al., 1988Based on data from 402. - 500. K.

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 STC 0011
NIST MS number 12976

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Gas Chromatography

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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1846.7Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOptima-51844.Al-Qudah, Muhaidat, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C
CapillaryRTX-11845.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C
CapillaryHP-5 MS1847.Miyazawa, Marumoto, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryHP-51836.Bi Kouame, Bedi, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 5. min, 50. K/min, 300. C @ 5. min
CapillaryHP-51844.Cavar, Maksimovic, et al., 201030. m/0.252 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryOV-11798.Da Costa, Yang, et al., 201050. m/0.32 mm/0.50 «mu»m, 2. K/min, 270. C @ 10. min; Tstart: 40. C
CapillaryOV-11830.Hu, Liang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min
CapillaryHP-51846.Kahriman, Tosun, et al., 201030. m/0.32 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillarySPB-11845.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 MS1848.Lazarevic, Radulovic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryHP-5 MS1848.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-5 MS1843.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-51801.de Souza, Lopes, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C
CapillaryDB-11830.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
CapillaryDB-51801.de Souza, Lopes, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C
CapillaryHP-5 MS1836.Tigrine-Kordiani, Meklati, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillaryDB-51847.Kowalski, 200530. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryHP-5 MS1855.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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-5 MS1864.Kurashov, Krylova, et al., 201315. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min)
CapillaryRTX-11842.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryOV-11809.Chen and Li, 2011Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min)
Capillary 1843.Karimi, Farmany, et al., 2011Program: not specified
CapillaryHP-51837.Bi Kouame, Bedi, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-51847.Kahriman, Tosun, et al., 201030. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-11842.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5 MS1835.Mancini, Arnold, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)
CapillaryDB-51843.Nivinsliene, Butkiene, et al., 200750. m/0.32 mm/0.25 «mu»m, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C
CapillaryRTV-5021836.Blumer and Thomas, 1965Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax2125.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C
CapillaryCarbowax-PEG2129.Tigrine-Kordiani, Meklati, et al., 200660. m/0.20 mm/0.25 «mu»m, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC2131.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
CapillaryInnowax FSC2131.Bardakci, Demirci, et al., 201260. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C
CapillaryDB-Wax2110.Gyawali and Kim, 201260. m/0.20 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
CapillaryInnowax2131.Noorizadeh, Farmany, et al., 201160. m/0.25 mm/0.33 «mu»m; Program: not specified
CapillaryHP Innowax2131.Noorizadeh and Farmany, 201060. m/0.25 mm/0.33 «mu»m; Program: not specified
CapillaryHP Innowax2131.Mancini, Arnold, et al., 200950. m/0.20 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)
CapillaryCarbowax 20M2114.Blumer and Thomas, 1965Program: not specified

References

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

Gadzhiev, Gubareva, et al., 1983
Gadzhiev, S.N.; Gubareva, A.I.; Ignat'ev, V.L.; Malinina, A.T.; Shakhova, M.K., Thermochemical study of intermediates from the synthesis of vitamin E, Deposited Document, SPSTL 448 Khp-D81. Chem. Abst. 98:88660x, 1983, 1. [all data]

Gadzhiev, Kerimov, et al., 1982
Gadzhiev, S.N.; Kerimov, K.K.; Gubareva, A.I.; Beregovykh, V.V.; Ignat'ev, V.L.; Nurullaev, G.G., Study of the physicochemical properties of polyene compounds and their derivatives, Khim.-Farm. Zh., 1982, 16, 1131-1133. [all data]

Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G., Physical properties of compounds used in vitamin synthesis, J. Chem. Eng. Data, 1988, 33, 512-518. [all data]

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

Al-Qudah, Muhaidat, et al., 2012
Al-Qudah, M.A.; Muhaidat, R.; Trawenh, I.N.; Jaber, H.I.; Abu Zarga, M.H.; Abu Orabi, S.T., Volatile constituents of leaves and bulbs of Gynandriris Sisyrinchicum and their antimicrobial activities, Jordan J. Chem., 2012, 7, 3, 287-295. [all data]

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y., Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique, Rec. Nat. Prod., 2011, 5, 3, 221-227. [all data]

Bi Kouame, Bedi, et al., 2010
Bi Kouame, F.P.; Bedi, G.; Koffi, A.M.; Chalchat, J.C.; Guessan, T.Y.N., Volatile constituents from leaves of Morinda morindoides (Rubiaceae): a medicinal plant from the Ivory Coast, The Open Nat. Prod. J., 2010, 3, 1, 6-9, https://doi.org/10.2174/1874848101003010006 . [all data]

Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E., Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia, Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]

Da Costa, Yang, et al., 2010
Da Costa, N.C.; Yang, Y.; Kowalczyk, J.; Poulsen, M.L., The analysis of volatiles and non-volatiles in Yerba Mate tea (Ilex paraguariensis) in Proc. 12th Weurman Symp., Blank, I.; Wust, M.; Yeretzian, C., ed(s)., Institut fur Chemie und Biologisher Chemie, Wissenschafen, Winterthur, 2010, 494-497. [all data]

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N., Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation, Turk. J. Chem., 2010, 34, 969-976. [all data]

Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S., Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species, J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L . [all data]

Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B., Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia, J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290 . [all data]

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

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]

de Souza, Lopes, et al., 2010
de Souza, A.; Lopes, E.M.C.; da Silva, M.C.; Cordeiro, I.; Young, M.C.M.; Sobral, M.E.G.; Moreno, P.R.H., Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrciolides (Cambess.) O. Berg and Eugenia riedelliana O. Berg, Myrtaceae, Braz. J. Pharmacognosy, 2010, 20, 2, 175-179. [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]

de Souza, Lopes, et al., 2009
de Souza, A.; Lopes, E.M.C.; da Silva, M.C.; Cordeiro, I.; Young, M.C.M.; Sobral, M.E.G.; Moreno, P.R.H., Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrcioides (Chambess.) O. Berg and Eugenia riedeliana O. Berg, Myrtaceae, Braz. J. Pharmacognosy, 2009, 20, 2, 175-179. [all data]

Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F., Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria, Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008 . [all data]

Kowalski, 2005
Kowalski, R., Analysis of lipophylic fraction from leaves, inflorescences and rhizomes of Siphium perfoliatum L., Acta Soc. Botanicorum Poloniae, 2005, 74, 1, 5-10, https://doi.org/10.5586/asbp.2005.001 . [all data]

Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G., Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation, Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]

Chen and Li, 2011
Chen, S.; Li, X., Analysis of common volatile constituents between herbal pair Ephedra Sinica Stapf-Zingiber offoconale Rosc. and its single herb by GC-MS combined with AMWFA method, 2011, retrieved from http://www.webmedcentral.com. [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]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B., Influence of urban environment on chemical composition of Tilia cordata essential oil, Chemija, 2007, 18, 1, 44-49. [all data]

Blumer and Thomas, 1965
Blumer, M.; Thomas, D.W., Zamene, isomeric C19 monoolefins from marine zooplankton, fishes, and mammals, Science, 1965, 148, 3668, 370-371, https://doi.org/10.1126/science.148.3668.370 . [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]

Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C., Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia, Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Noorizadeh, Farmany, et al., 2011
Noorizadeh, H.; Farmany, A.; Noorizadeh, M., Quantitative structure-retention relationships analysis of retention index of essential oils, Quim. Nova, 2011, 34, 2, 242-249, https://doi.org/10.1590/S0100-40422011000200014 . [all data]

Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A., Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils, J. Chin. Chem. Soc., 2010, 1268-1277. [all data]


Notes

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