Lauryl acetate
- Formula: C14H28O2
- Molecular weight: 228.3709
- IUPAC Standard InChIKey: VZWGRQBCURJOMT-UHFFFAOYSA-N
- CAS Registry Number: 112-66-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Dodecan-1-yl acetate; Dodecyl alcohol, acetate; 1-Dodecanol acetate; n-Dodecyl ethanoate; Dodecanol acetate; Dodecanyl acetate; n-Dodecyl acetate; Acetic acid, dodecyl ester; Dodecyl acetate; NSC 67366; 70808-58-1; Dodecan-1-ol, acetate
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 538.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 19.0 ± 0.07 | kcal/mol | GS | Krasnykh, Verevkin, et al., 2006 | Based on data from 289. to 333. K.; AC |
ΔvapH° | 19.6 | kcal/mol | GC | Koutek, Hoskovec, et al., 1997 | Based on data from 333. to 378. K. See also Ova, Koultek, et al., 2000.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
423.2 | 0.020 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.8 | 413. | A | Stephenson and Malanowski, 1987 | Based on data from 398. to 540. K.; AC |
IR Spectrum
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
NIST MS number | 351777 |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-5 | 170. | 1606. | Svatoz, Kalinová, et al., 1999 | 30. m/0.25 mm/0.25 μm |
Capillary | SE-30 | 160. | 1596. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 180. | 1594. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 200. | 1594. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 220. | 1591. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Packed | OV-101 | 130. | 1576. | Berezkin and Returnsky, 1984 | Chromaton N-AW; Column length: 1. m |
Capillary | OV-101 | 200. | 1589.6 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
Packed | Apiezon L | 170. | 1562. | Nedopekina, Kovalev, et al., 1981 | N2, Chromatron N-AW-HMDS; Column length: 2.5 m |
Packed | SE-30 | 180. | 1587. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 160. | 1876. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 180. | 1896. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 200. | 1898. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 220. | 1900. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Packed | Carbowax 20M | 180. | 1868. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1880. | Buttery, Kamm, et al., 1982 | He, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1620. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
Capillary | HP-5MS | 1611. | Vujisic L., Vuckovic I., et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C |
Capillary | DB-5 | 1609. | Marques, McElfresh, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min |
Capillary | DB-5 | 1610. | Song, Sawamura, et al., 2000 | 30. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C |
Packed | SE-30 | 1595. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1608.5 | 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) |
Capillary | VF-5MS | 1605.9 | Zheng and White, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5 | 1610. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1895. | Njoroge, Koaze, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 1880. | Marques, McElfresh, et al., 2000 | 30. m/0.32 mm/0.25 μm, 100. C @ 1. min, 5. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTx-1 | 1606. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Capillary | RTX-1 | 1585. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Capillary | DB-1 | 1597. | Ouattara, Koudou, et al., 2007 | 30. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-5 | 1605.9 | Svatos, Kalinová, et al., 2001 | 30. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 140. C; Tend: 240. C |
Capillary | Ultra-1 | 1592. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTx-1 | 1606. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | RTX-1 | 1580. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | BPX-5 | 1613. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
Capillary | BPX-5 | 1606. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 1606. | Kalinová, Svatos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 70 0C (2 min) 4 K/min -> 140 0C 5 K/min -> 220 0C 20 K/min -> 280 0C (5 min) |
Capillary | HP-1 | 1592. | Wakamura, Hattori, et al., 1999 | 15. m/0.25 mm/0.25 μm, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 min) |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1588. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 1882. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Capillary | DB-Wax | 1884. | Njoroge, Koaze, et al., 2005, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 1883. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Capillary | Innowax | 1893. | Kaya, Baser, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C |
Packed | Carbowax 20M-TPA | 1893. | Szymanowski, Kusz, et al., 1989 | Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Capillary | Carbowax 20M | 1880. | Buttery, Kamm, et al., 1984 | 1. 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax FSC | 1893. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 1893. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | DB-Wax | 1891. | Wakamura, Hattori, et al., 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 min) |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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,
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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,
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Ova, Koultek, et al., 2000
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Stephenson and Malanowski, 1987
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Svatoz, Kalinová, et al., 1999
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Identification of a new lepidopteran sex pheromone in picogram quantities using an antennal biodetector: (8E, 10Z)-tetradeca-8,10-dienal from Cameraria ohridella,
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Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates,
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Calculation of invariant retention indices for a series of aliphatic alcohols and acetates by consideration of adsorption at the interface,
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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,
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Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
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Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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