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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Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
2 +
=
By formula: 2H2 + C19H34O2 = C19H38O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -55.70 ± 0.13 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
+
=
By formula: H2 + C19H36O2 = C19H38O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -28.29 ± 0.15 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
+ 2
=
By formula: C19H34O2 + 2H2 = C19H38O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -58.60 ± 0.39 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
3 +
=
By formula: 3H2 + C19H32O2 = C19H38O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -85.40 ± 0.58 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
+
=
By formula: C19H36O2 + H2 = C19H38O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -29.26 ± 0.28 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
Mass spectrum (electron ionization)
Go To: Top, Reaction 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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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, Reaction 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
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, Reaction 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.
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Notes
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