2-Pentadecanone, 6,10,14-trimethyl-
- Formula: C18H36O
- Molecular weight: 268.4778
- IUPAC Standard InChIKey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
- CAS Registry Number: 502-69-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Hexahydrofarnesyl acetone; 6,10,14-Trimethyl-2-pentadecanone; 6,10,14-Trimethylpentadecan-2-one; Perhydrofarnesyl acetone; 13955-74-3
- Information on this page:
- Other data available:
- Options:
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Condensed phase thermochemistry data
Go To: Top, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -149.65 ± 0.55 | kcal/mol | Ccb | Gadzhiev, Gubareva, et al., 1983 | Author's hf298_condensed=-631.41; ALS |
ΔfH°liquid | -150.9 ± 2.2 | kcal/mol | Ccb | Gadzhiev, Kerimov, et al., 1982 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2773.0 ± 1.2 | kcal/mol | Ccb | Gadzhiev, Gubareva, et al., 1983 | Author's hf298_condensed=-631.41; Corresponding ΔfHºliquid = -149.64 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2771.68 | kcal/mol | Ccb | Gadzhiev, Kerimov, et al., 1982 | Corresponding ΔfHºliquid = -150.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
141.8 | 293.85 | Baglay, Gurariy, et al., 1988 | T = 270 to 340 K. Unsmoothed experimental datum.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1846.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Optima-5 | 1844. | Al-Qudah, Muhaidat, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C |
Capillary | RTX-1 | 1845. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
Capillary | HP-5 MS | 1847. | Miyazawa, Marumoto, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C |
Capillary | HP-5 | 1836. | Bi Kouame, Bedi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 50. K/min, 300. C @ 5. min |
Capillary | HP-5 | 1844. | Cavar, Maksimovic, et al., 2010 | 30. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-1 | 1798. | Da Costa, Yang, et al., 2010 | 50. m/0.32 mm/0.50 μm, 2. K/min, 270. C @ 10. min; Tstart: 40. C |
Capillary | OV-1 | 1830. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
Capillary | HP-5 | 1846. | Kahriman, Tosun, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C |
Capillary | SPB-1 | 1845. | Lazarevic, Palic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
Capillary | HP-5 MS | 1848. | Lazarevic, Radulovic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | HP-5 MS | 1848. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 MS | 1843. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | DB-5 | 1801. | de Souza, Lopes, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 1830. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
Capillary | DB-5 | 1801. | de Souza, Lopes, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min; Tend: 240. C |
Capillary | HP-5 MS | 1836. | Tigrine-Kordiani, Meklati, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | DB-5 | 1847. | Kowalski, 2005 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | HP-5 MS | 1855. | Shang, Hu, et al., 2001 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min, 250. C @ 5. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 1864. | Kurashov, Krylova, et al., 2013 | 15. m/0.25 mm/0.25 μm, 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) |
Capillary | RTX-1 | 1842. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | OV-1 | 1809. | Chen and Li, 2011 | Helium; 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., 2011 | Program: not specified | |
Capillary | HP-5 | 1837. | Bi Kouame, Bedi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 1847. | Kahriman, Tosun, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-1 | 1842. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 MS | 1835. | Mancini, Arnold, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
Capillary | DB-5 | 1843. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
Capillary | RTV-502 | 1836. | Blumer and Thomas, 1965 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 2125. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
Capillary | Carbowax-PEG | 2129. | Tigrine-Kordiani, Meklati, et al., 2006 | 60. m/0.20 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 2131. | Akin, Saracoglu, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C |
Capillary | Innowax FSC | 2131. | Bardakci, Demirci, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C |
Capillary | DB-Wax | 2110. | Gyawali and Kim, 2012 | 60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C |
Capillary | Innowax | 2131. | Noorizadeh, Farmany, et al., 2011 | 60. m/0.25 mm/0.33 μm; Program: not specified |
Capillary | HP Innowax | 2131. | Noorizadeh and Farmany, 2010 | 60. m/0.25 mm/0.33 μm; Program: not specified |
Capillary | HP Innowax | 2131. | Mancini, Arnold, et al., 2009 | 50. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
Capillary | Carbowax 20M | 2114. | Blumer and Thomas, 1965 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry 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.,
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Baglay, Gurariy, et al., 1988
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Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
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Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
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The analysis of volatiles and non-volatiles in Yerba Mate tea (Ilex paraguariensis)
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Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
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Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
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Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrciolides (Cambess.) O. Berg and Eugenia riedelliana O. Berg, Myrtaceae,
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Chemical composition and acetylcholinesterase inhibitory activity of essential oils of Myrceugenia myrcioides (Chambess.) O. Berg and Eugenia riedeliana O. Berg, Myrtaceae,
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Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
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Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction,
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Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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