Nonadecanoic acid, methyl ester

Formula: C₂₀H₄₀O₂
Molecular weight: 312.5304
IUPAC Standard InChI: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
IUPAC Standard InChIKey: BDXAHSJUDUZLDU-UHFFFAOYSA-N
CAS Registry Number: 1731-94-8
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Methyl nonadecanoate; n-Nonadecanoic acid methyl ester; methyl nonadecan-1-oate
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- Phase change data
- Mass spectrum (electron ionization)
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-101	170.	2197.7	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	175.	2198.8	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	180.	2200.	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	185.	2201.2	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	190.	2202.4	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	195.	2203.6	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	OV-101	200.	2204.9	Kittiratanapiboon, Jeyashoke, et al., 1998	15. m/0.25 mm/0.2 μm, N2
Capillary	CP Sil 5 CB	240.	2210.	Hanai and Hong, 1989	30. m/0.25 mm/0.25 μm
Capillary	DB-1	240.	2211.	Hanai and Hong, 1989	30. m/0.25 mm/0.25 μm
Packed	SE-30	200.	2214.	Golovnya and Kuzmenko, 1977	He, Chromosorb W (80-100 mesh); Column length: 1.5 m
Packed	SE-30	200.	2214.	Golovnya, Uralets, et al., 1976	Gas Chrom Q (80-100 mesh); Column length: 1.5 m

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	CP-Wax	240.	2513.	Hanai and Hong, 1989	25. m/0.25 mm/0.22 μm
Capillary	DB-Wax	240.	2543.	Hanai and Hong, 1989	25. m/0.25 mm/0.22 μm

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	2209.	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	DB-1	2210.	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	DB-5	2228.	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	2226.2	Tret'yakov, 2008	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
Capillary	DB-1	2210.	Peng, 2000	15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2534.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
Capillary	HP-Wax	2539.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-1	200.	2210.	Aryusuk and Krisnangkura, 2003

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	2221.	Vedernikov, Shabanova, et al., 2011	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 280. C @ 5. min; T_start: 150. C
Capillary	RTx-1	2209.	Dib, Bendahou, et al., 2010	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 35. min; T_start: 60. C
Capillary	HP-1	2207.	Amijee, Cheung, et al., 1996	12. m/0.22 mm/33. μm, He, 140. C @ 0.5 min, 20. K/min, 300. C @ 3. min
Capillary	DB-5	2230.	Wang, Jin, et al., 1992	30. m/0.25 mm/0.215 μm, N2, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Capillary	Ultra-1	2209.	Okumura, 1991	25. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 80. C; T_end: 260. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	RTx-1	2207.	Dib, Bendahou, et al., 2010	60. m/0.22 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	2228.	Wang, Jin, et al., 1992	30. m/0.25 mm/0.215 μm, N2; Program: not specified

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	376.6	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	DB-1	376.7	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	DB-5	365.54	Wang, Jin, et al., 1992	30. m/0.25 mm/0.215 μm, N2, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Capillary	DB-5	365.43	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Lee's RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	365.43	Wang, Jin, et al., 1992	30. m/0.25 mm/0.215 μm, N2; Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Kittiratanapiboon, Jeyashoke, et al., 1998
Kittiratanapiboon, K.; Jeyashoke, N.; Krisnangkura, K., The relationship of Kováts retention indices and equivalent chain lengths of fatty acid methyl esters on a methyl silicone capillary column, J. Chromatogr. Sci., 1998, 36, 7, 361-364, https://doi.org/10.1093/chromsci/36.7.361 . [all data]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [all data]

Golovnya and Kuzmenko, 1977
Golovnya, R.V.; Kuzmenko, T.E., Thermodynamic evaluation of the interaction of fatty acid methyl esters with polar and non-polar stationary phases, based on their retention indices, Chromatographia, 1977, 10, 9, 545-548, https://doi.org/10.1007/BF02262915 . [all data]

Golovnya, Uralets, et al., 1976
Golovnya, R.V.; Uralets, V.P.; Kuzmenko, T.E., Characterization of fatty acid methyl esters by gas chromatography on siloxane liquid phases, J. Chromatogr., 1976, 121, 1, 118-121, https://doi.org/10.1016/S0021-9673(00)82312-2 . [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]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Aryusuk and Krisnangkura, 2003
Aryusuk, K.; Krisnangkura, K., Prediction of gas chromatographic retention times of capillary columns of different inside diameters, J. Sep. Sci., 2003, 26, 18, 1688-1692, https://doi.org/10.1002/jssc.200301505 . [all data]

Vedernikov, Shabanova, et al., 2011
Vedernikov, D.N.; Shabanova, N.Yu.; Roshchin, V.I., Change in the chemical composition of the crust and inner bark of the Betula pendula Roth. Birch (Betulaceae) with tree height, Rus. J. Bioorg. Chem., 2011, 37, 7, 877-882, https://doi.org/10.1134/S1068162011070259 . [all data]

Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J., Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts, Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609 . [all data]

Amijee, Cheung, et al., 1996
Amijee, M.; Cheung, J.; Wells, R.J., Direct on-column derivatisation in gas chromatography. III. On-column benzylation reagents and the development of 3,5-bis(trifluoromethyl)benzyl-dimethylphenylammonium fluoride, an efficient new on-column derivatisation reagent, J. Chromatogr. A, 1996, 738, 1, 57-72, https://doi.org/10.1016/0021-9673(96)00088-X . [all data]

Wang, Jin, et al., 1992
Wang, X.; Jin, Z.; Xu, X., Analysis of fatty acids in bacteria by using gas chromatographic retention indices, Chin. J. Chromatogr., 1992, 10, 2, 92-94. [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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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