Methyl stearate
- Formula: C19H38O2
- Molecular weight: 298.5038
- IUPAC Standard InChI: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
- IUPAC Standard InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
- CAS Registry Number: 112-61-8
- 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: Octadecanoic acid, methyl ester; Stearic acid, methyl ester; n-Octadecanoic acid, methyl ester; Kemester 9718; Methyl n-octadecanoate; Methyl octadecanoate; Metholene 2218; Emery 2218; Kemester 9018; Methyl ester of octadecanoic acid; Kemester 4516; NSC 9418; 172226-13-0; 172226-14-1; 218433-32-0; 28:0, Me ester
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -2859.0 ± 0.1 | kcal/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºsolid = -226.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLUTION (10% CCl4 FOR 2.7-7.5, 10% CS2 FOR 7.5-26 MICRON) VS SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase 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 Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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, 1998. |
| NIST MS number | 291013 |
Gas Chromatography
Go To: Top, Condensed phase 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 Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 170. | 2099.8 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 175. | 2101.0 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 180. | 2102.1 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 185. | 2103.3 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 190. | 2104.5 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 195. | 2105.8 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | OV-101 | 200. | 2107.1 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | CP Sil 5 CB | 240. | 2109. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
| Capillary | DB-1 | 240. | 2113. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
| Capillary | SE-30 | 180. | 2114. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 200. | 2102. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Packed | SE-30 | 200. | 2113. | Golovnya and Kuzmenko, 1977 | He, Chromosorb W (80-100 mesh); Column length: 1.5 m |
| Packed | SE-30 | 200. | 2113. | Golovnya, Uralets, et al., 1976 | Gas Chrom Q (80-100 mesh); Column length: 1.5 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2126. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
| Capillary | DB-5MS | 2128. | Palmeira, Moura, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-1 | 2140. | Maurer and Arlt, 1999 | 12. m/0.20 mm/0.33 μm, He, 100. C @ 3. min, 7. K/min, 310. C @ 8. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2130. | Khan, Srivastava, et al., 2003 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) |
| Packed | SE-30 | 2116. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | CP-Wax | 240. | 2410. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
| Capillary | DB-Wax | 240. | 2445. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
| Capillary | Carbowax 20M | 180. | 2396. | Haken and Korhonen, 1984 | N2; Column length: 22. m; Column diameter: 0.3 mm |
| Capillary | Carbowax 20M | 200. | 2389. | Haken and Korhonen, 1984 | N2; Column length: 22. m; Column diameter: 0.3 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2128. | Quijano, Salamanca, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 2135. | Rout, Rao, et al., 2007 | 25. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C |
| Capillary | DB-5 | 2112. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 2117. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5MS | 2130. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 2128. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | SPB-5 | 2128. | Píno, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | SPB-5 | 2128. | Pino, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | Optima 5 | 2110. | Chosson, Vérité, et al., 2003 | 25. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C |
| Capillary | SPB-5 | 2128. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-1 | 2133. | Senatore, Rigano, et al., 2003 | 30. m/0.25 mm/0.33 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | HP-5MS | 2138. | Demetzos, Angelopoulou, et al., 2002 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 | 2128. | Fokialakis, Magiatis, et al., 2002 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | BPX-5 | 2141. | Oruna-Concha, Duckham, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min |
| Capillary | HP-5MS | 2135. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 2130. | Lazari, Skaltsa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-1 | 2109. | 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 | 2109. | 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 | 2109. | 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 | Ultra-1 | 2109.49 | Richmond and Pombo-Villar, 1997 | 25. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; Tstart: 35. C |
| Capillary | BP-1 | 2109. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
| Capillary | OV-1 | 2116. | Tan, Holland, et al., 1988 | He, 8. K/min, 280. C @ 10. min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 40. C |
| Capillary | Ultra-1 | 2108. | Tokuda, Saitoh, et al., 1988 | 12.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C |
| Capillary | Ultra-1 | 2109. | Tokuda, Saitoh, et al., 1988 | 12.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C |
| Capillary | DB-5 | 2128. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
| Packed | SE-30 | 2098. | 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 | 2123.1 | 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 | 2127.1 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | HP-5 | 2130. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C |
| Capillary | DB-5 | 2128. | Takacs, Gries, et al., 2001 | Column length: 30. m; Program: 100C(1min) => 20C/min => 210C => 5C/min => 240C |
| Capillary | DB-1 | 2111. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
| Capillary | DB-5 | 2128. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 2139. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 2409. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2415. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | OV-351 | 2386. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | ZB-Wax | 2417. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min |
| Capillary | OV-351 | 2386. | Bonvehi and Coll, 2003 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 2426. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
| Capillary | HP-Wax | 2431. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
| Capillary | DB-Wax | 2445. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
| Capillary | DB-Wax | 2445. | Shiratsuchi, Shimoda, et al., 1994, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
| Capillary | Carbowax 20M | 2424. | Chen, Kuo, et al., 1986 | He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 2419. | Romeo, Ziino, et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
| Capillary | Innowax | 2422. | Larráyoz, Addis, et al., 2001 | 60. m/0.22 mm/0.25 μm, He; Program: 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min) |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 200. | 2110. | Aryusuk and Krisnangkura, 2003 | |
| Capillary | LM-1 | 210. | 2114. | Filho and Lancas, 1995 | 30. m/0.25 mm/0.25 μm, Hydrogen |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 2106. | Vedernikov, Shabanova, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 280. C @ 5. min; Tstart: 150. C |
| Capillary | RTx-1 | 2109. | 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 | SPB-1 | 2127. | 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 | 2137. | Vedernikov and Roschin, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 280. C @ 10. min; Tstart: 150. C |
| Capillary | HP-5 MS | 2122. | Kim and Chung, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min |
| Capillary | HP-5 | 2138. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | RTX-5 MS | 2126. | Edris, Chizzola, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 200. C @ 10. min |
| Capillary | SE-30 | 2141. | Loizzo, Tundis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min |
| Capillary | HP-5 | 2133. | Loizzo, Tundis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min |
| Capillary | Elite-5MS | 2124. | Tava, Pecetti, et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min |
| Capillary | HP-5MS | 2109.2 | Zizovic, Stamenic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-5 | 2137. | Rout, Naik, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C |
| Capillary | DB-1 | 2130. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | HP-5MS | 2110. | Tzakou, Said, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BPX-5 | 2124. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
| Capillary | HP-5 | 2129.3 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
| Capillary | SPB-5 | 2128. | Pino, Marbot, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 2128. | Rout, Misra, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 80. min; Tstart: 60. C |
| Capillary | HP-5 | 2110. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2111. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2112. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2117. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 2111. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 2130. | Senatore, Rigano, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | HP-5MS | 2139. | Ghannadi, Aghazari, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-1 | 2104. | Krop, 2003 | 30. m/0.32 mm/0.25 μm, Helium, 10. K/min; Tstart: 160. C; Tend: 252. C |
| Capillary | HP-5 | 2125. | Velickovic, Randjelovic, et al., 2003 | 25. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | DB-5 | 2126. | da Camara, Shepherd, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 290. C |
| Capillary | SPB-5 | 2127. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 2133. | Palmeira, Conserva, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | HP-1 | 2111. | Boatright and Crum, 1997 | 30. m/0.25 mm/0.1 μm, He, 50. C @ 2. min, 5. K/min, 300. C @ 3. min |
| Capillary | HP-1 | 2108. | 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-1 | 2105. | Guy and Vernin, 1996 | He, 70. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
| Capillary | DB-5 | 2130. | 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 | 2109. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
| Capillary | OV-101 | 2110. | Stern, Flath, et al., 1985 | 40. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | OV-101 | 2107. | Stern, Flath, et al., 1985 | 50. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | Methyl Silicone | 2111. | Lorenz, Stern, et al., 1983 | 4. K/min, 225. C @ 20. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | Methyl Silicone | 2112. | Lorenz, Stern, et al., 1983 | 4. K/min, 225. C @ 20. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | OV-101 | 2102. | Pinkston, Spiteller, et al., 1981 | H2, 80. C @ 7. min, 2. K/min; Column length: 30. m; Column diameter: 0.3 mm; Tend: 275. C |
| Capillary | OV-101 | 2116. | Ehrhardt, Osterroht, et al., 1980 | Hydrogen, 60. C @ 0.5 min, 4. K/min; Column length: 30. m; Column diameter: 0.35 mm; Tend: 270. C |
| Capillary | OV-101 | 2116. | Ehrhardt, Osterroht, et al., 1980 | Hydrogen, 60. C @ 0.5 min, 4. K/min; Column length: 30. m; Column diameter: 0.35 mm; Tend: 270. C |
| Packed | SE-30 | 2112. | Horning, Casparrini, et al., 1969 | Gas Chrom P, 2. K/min; Column length: 3.7 m; Tstart: 145. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TR-5 MS | 2126. | Kurashov, Mitrukova, et al., 2014 | 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 min) 15 0C/min -> 240 0C (10 min) |
| Capillary | TR-5 MS | 2134. | 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-5 MS | 2125. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
| Capillary | Siloxane, 5 % Ph | 2123. | VOC BinBase, 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane, 5 % phenyl | 2123. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
| Capillary | RTx-1 | 2108. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 MS | 2121. | Vedernikov and Roschin, 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 2130. | Povolo, Pelizzola, et al., 2009 | 30. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (3 min) 10 0C/min -> 280 0C (1 min) 3 0C/min -> 320 0C (20 min) |
| Capillary | CP Sil 8 CB | 2125. | Nivinskienë, Butkienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 2128. | Pino, Marbot, et al., 2005, 2 | Program: not specified |
| Capillary | SE-30 | 2101. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-5 | 2128. | da Camara, Shepherd, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | DB-5 | 2127. | Soderstrom, White, et al., 2001 | Program: not specified |
| Capillary | DB-5 | 2127. | Soderstrom, White, et al., 2001 | Program: not specified |
| Capillary | DB-5 | 2128. | Soderstrom, White, et al., 2001 | Program: not specified |
| Capillary | DB-5 | 2130. | Soderstrom, White, et al., 2001 | Program: not specified |
| Capillary | DB-5 | 2130. | Soderstrom, White, et al., 2001 | Program: not specified |
| Capillary | HP-5 | 2134. | Ansorena, Astiasarán, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
| Capillary | CP Sil 5 CB | 2119. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Program: not specified |
| Capillary | HP-1 | 2127. | Rowland, Blackman, et al., 1995 | 25. m/0.25 mm/0.25 μm; Program: 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min) |
| Capillary | SE-54 | 2140. | Um, Bailey, et al., 1992 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C |
| Capillary | DB-5 | 2129. | Wang, Jin, et al., 1992 | 30. m/0.25 mm/0.215 μm, N2; Program: not specified |
| Capillary | DB-1 | 2109. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | DB-1 | 2109. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2098. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2112. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Other | Methyl Silicone | 2115. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2412. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | TC-FFAP | 2433. | Kurose and Yatagai, 2005 | 60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C |
| Capillary | ZB-Wax | 2405. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2409. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2409. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2415. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2405. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-Wax | 2434. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | TC-Wax | 2418. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2429. | Narain, Galvao, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) |
| Capillary | Carbowax 20M | 2418. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2442. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 349.48 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
| Capillary | DB-5MS | 352.84 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
| Capillary | DB-1 | 362.2 | 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 | 362.2 | 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 | 362.2 | 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 | 351.30 | 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 | 351.38 | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 351.38 | Wang, Jin, et al., 1992 | 30. m/0.25 mm/0.215 μm, N2; Program: not specified |
References
Go To: Top, Condensed phase 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.
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Notes
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