Indole
- Formula: C8H7N
- Molecular weight: 117.1479
- IUPAC Standard InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
- CAS Registry Number: 120-72-9
- 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: 1H-Indole; Ketole; 1-Azaindene; 1-Benzazole; 2,3-Benzopyrrole; Benzopyrrole; Indol; 1-H-indol
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Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C8H7N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.7602 ± 0.0006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 223.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 215.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Reference | Comment |
---|---|---|
0.00351 ± 0.00022 | Carles, Desfrancois, et al., 2000 | Dipole bound state; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.7602 ± 0.0006 | LS | Hager and Wallace, 1988 | LL |
7.7610 ± 0.0006 | PE | Hager, Ivanco, et al., 1985 | LBLHLM |
7.90 | EI | Corval, 1979 | LLK |
8.29 ± 0.05 | EI | Thorstad and Undheim, 1974 | LLK |
7.78 | PE | Dewar, Harget, et al., 1970 | RDSH |
7.75 ± 0.05 | PE | Eland, 1969 | RDSH |
7.91 | PE | Kovac, Klasinc, et al., 1980 | Vertical value; LLK |
7.92 ± 0.05 | PE | Domelsmith, Munchausen, et al., 1977 | Vertical value; LLK |
7.75 ± 0.015 | PE | Gusten, Klasinc, et al., 1976 | Vertical value; LLK |
7.87 | PE | Dolby, Hanson, et al., 1976 | Vertical value; LLK |
De-protonation reactions
C8H6N- + =
By formula: C8H6N- + H+ = C8H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 351.9 ± 2.5 | kcal/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
ΔrH° | 349.2 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 344.1 ± 2.0 | kcal/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
ΔrG° | 341.9 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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 | SE-30 | 100. | 1255.9 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Capillary | OV-101 | 140. | 1281.1 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | SE-30 | 170. | 1296. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Packed | SE-30 | 190. | 1310. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1303. | Raina, Lal, et al., 2002 | 60. m/0.32 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-5 | 1292. | Dickens, 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 15. K/min, 235. C @ 2. min |
Capillary | SE-30 | 1260. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | SE-30 | 1263. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | OV-101 | 1273. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1274. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 1291. | Borse, Jagan Mohan Rao, et al., 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 100C => 4C/min => 220C (7min) |
Capillary | DB-5 | 1292. | Dickens J.C., 2000 | Program: not specified |
Packed | SE-30 | 1276. | 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 |
---|---|---|---|---|---|
Packed | Carbowax 20M | 220. | 2449. | Sellier, Tersac, et al., 1981 | Column length: 2. m |
Packed | PEG-20M | 190. | 2420. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil PONA GB | 1265. | Cunicao, Lopes, et al., 2007 | 100. m/0.25 mm/0.25 μm, He, 140. C @ 10. min, 5. K/min, 230. C @ 25. min |
Capillary | HP-5 | 1289. | Flamini, Tebano, et al., 2007 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-5 | 1320. | 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 | CP Sil 8 CB | 1287. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | BPX-5 | 1319. | Dickschat J.S., Wagner-Dobler I., et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
Capillary | SPB-5 | 1288. | 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 | 1288. | 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 | SPB-5 | 1288. | Pino, Marbot, et al., 2004, 2 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 1295. | Reis, Pansarim, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 290. C |
Capillary | HP-5 | 1295. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-5MS | 1290. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-1 | 1244.3 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | Mega 5MS | 1290. | Verzera, Trozzi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 1257. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Capillary | DB-5 | 1288. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | SE-54 | 1291. | Li, Wang, et al., 1998 | H2, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Capillary | SE-54 | 1294. | Li, Wang, et al., 1998 | H2, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Capillary | DB-5 | 1288. | Nogueira, Marsaioli, et al., 1998 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1328. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 1329. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 1340. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-1 | 1305. | Stashenko, Prada, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
Capillary | SE-30 | 1263. | de Frutos, Sanz, et al., 1991 | 22. m/0.30 mm/1.0 μm, N2, 2. K/min; Tstart: 60. C; Tend: 250. C |
Packed | SE-30 | 1273. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Capillary | DB-5 | 1295. | 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1276. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
Capillary | DB-5 | 1300. | Jezussek, Juliano, et al., 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
Capillary | DB-5 | 1293. | Rychlik and Bosset, 2001 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 2420. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 2405. | Chung, Fung, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min |
Capillary | DB-FFAP | 2446. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | Supelcowax-10 | 2444. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2444. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2444. | Chung, 2000 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C |
Capillary | HP-Innowax | 2465. | Christensen, Jakobsen, et al., 1999 | He, 32. C @ 1. min, 2. K/min, 220. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | Supelcowax-10 | 2445. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2444. | Chung, 1999, 2 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 2441. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 2435. | 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 | 2435. | 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 | Supelcowax-10 | 2444. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 2456. | Jezussek, Juliano, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
Capillary | DB-Wax | 2412. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | FFAP | 2446. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1293. | Fanaro, Duarte, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min |
Capillary | Optima-5 MS | 1297. | Goeminne, Vandendriessche, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min |
Capillary | HP-5 MS | 1294. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | HP-5 MS | 1289. | Nawrath, Mgode, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Capillary | HP-5 MS | 1299. | 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 MS | 1300. | 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 | ZB-5 | 1303. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
Capillary | HP-5 MS | 1287. | 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 | SLB-5MS | 1316. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C |
Capillary | RTX-5 MS | 1297. | 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 | ZP-5 | 1254. | Füssel, Dötterl, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 260. C @ 1. min |
Capillary | Elite-5MS | 1282. | 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-5 | 1300. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
Capillary | BPX-5 | 1320. | Fons, Rapior, et al., 2006 | 25. m/0.20 mm/0.13 μm, Helium, 50. C @ 2. min, 3. K/min; Tend: 230. C |
Capillary | CP Sil 8 CB | 1297. | Li, Lee, et al., 2006 | 30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 250. C @ 20. min |
Capillary | DB-5 | 1295. | Morteza-Semnani, Saeedi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 260. C |
Capillary | SPB-5 | 1288. | Pino, Marquez, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 1303. | 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-5 | 1303. | 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-5 | 1301. | Senatore, Landolfi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Capillary | HP-1 | 1278. | Valette, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
Capillary | HP-1 | 1256. | Bendimerad and Bendiab, 2005 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
Capillary | Polymethylsiloxane, (PMS-20000) | 1260. | Dohou, Yamni, et al., 2005 | He, 50. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 250. C |
Capillary | ZB-5 | 1307. | Dötterl and Jürgens, 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
Capillary | ZB-5 | 1307. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
Capillary | HP-5 | 1329.6 | 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 | DB-5 | 1283. | Miyazawa, Nishiguchi, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | SPB-5 | 1288. | 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 | 1301. | Senatore, Apostolides Arnold, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Capillary | ZB-5 | 1310. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
Capillary | DB-5MS | 1327. | Robledo and Arzuffi, 2004 | 30. m/0.25 mm/0.25 μm, 30. K/min, 200. C @ 10. min; Tstart: 90. C |
Capillary | DB-1 | 1277. | Perez-Alonso, Velasco-Negueruela, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | HP-1 | 1248. | Valette, Fernandez, et al., 2003 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 40. min; Tstart: 60. C |
Capillary | BPX-5 | 1301. | Diaz and Kite, 2002 | 5. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-5 | 1287. | Kobaisy, Tellez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1289. | Tellez, Khan, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5MS | 1296. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | DB-5MS | 1296. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | AT-1 | 1282. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Capillary | DB-5 | 1288. | Tellez, Canel, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1286. | El-Sakhawy, El-Tantawy, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-1 | 1260. | 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 | 1260. | 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 | OV-101 | 1304. | Egolf and Jurs, 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-5 | 1328. | Moio, Dekimpe, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 1329. | Moio, Dekimpe, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 1340. | Moio, Langlois, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 40. C @ 5. min, 5. K/min; Tend: 220. C |
Capillary | SE-30 | 1270.4 | Bur'yan and Nabivach, 1992 | 1.7 K/min; Tstart: 82. C; Tend: 177. C |
Capillary | SE-30 | 1275.2 | Bur'yan and Nabivach, 1992 | 1.7 K/min; Tstart: 82. C; Tend: 177. C |
Capillary | Ultra-1 | 1248. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | DB-1 | 1250. | Buttery, Takeoka, et al., 1990 | 30. C @ 25. min, 4. K/min, 200. C @ 30. min; Column length: 60. m |
Capillary | HP-5 | 1303. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
Capillary | OV-101 | 1277. | Wu, Zhao, et al., 1987 | He, 3. K/min; Column length: 45. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 180. C |
Capillary | DB-1 | 1248. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1292. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 MS | 1290. | 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-1 | 1255. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | DB-1 | 1255. | Mendes, Trindade, et al., 2009, 2 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | CP-Sil 8CB-MS | 1298. | Profitt, Schatz, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C |
Capillary | SLB-5MS | 1297. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium; Program: not specified |
Capillary | DB-5 MS | 1251. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
Capillary | DB-5 MS | 1289. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
Capillary | HP-5 MS | 1340. | Chuang, Lee, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 50 0C (15 min) 2 0C/min -> 150 0C (10 min) 2 0C/min -> 220 0C (20 min) |
Capillary | DB-5 MS | 1293. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | CP Sil 8 CB | 1293. | Meekijjaroenroj, Bessière, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C |
Capillary | CP-Sil | 1279. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | CP-Sil | 1292. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | CP-Sil | 1298. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | CP-Sil | 1298. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | HP-5MS | 1290. | Senatore, Apostolides Arnold, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
Capillary | VF-5MS | 1283. | Xie, Sun, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 15C/min => 100C => 4C/min => 250C (1min) |
Capillary | DB-1 | 1255. | Belhattab, Larous, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min) |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1288. | Pino, Marbot, et al., 2005, 2 | Program: not specified |
Capillary | SE-54 | 1293. | Buettner, 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) |
Capillary | SE-30 | 1304. | Vinogradov, 2004 | Program: not specified |
Capillary | SPB-5 | 1305. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | BPX-5 | 1304. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | DB-5MS | 1303. | Young, Lane, et al., 2003 | 30. m/0.25 mm/1. μm; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C |
Capillary | CP Sil 5 CB | 1276. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Capillary | HP-5MS | 1294. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | CP Sil 5 CB | 1269. | Guyot, Scheirman, et al., 1999 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
Capillary | DB-5 | 1305. | Young and Baumeister, 1999 | 30. m/0.53 mm/1. μm; Program: -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
Capillary | DB-5 | 1292. | Schieberle, 1996 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-1 | 1264. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 1265. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 1304. | Shibamoto, 1987 | Program: not specified |
Capillary | OV-101 | 1304. | Wu, Zhao, et al., 1987 | He; Column length: 45. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1276. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1276. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-Wax | 2454. | Miyazawa, Fujita, et al., 2010 | Helium, 40. C @ 3. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 230. C |
Capillary | Innowax | 2451. | Kaypak and Avsar, 2008 | 30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min |
Capillary | FFAP | 2476. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
Capillary | DB-Wax | 2414. | Kishimoto, Wanikawa, et al., 2006 | 15. m/0.32 mm/0.25 μm, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C |
Capillary | Innowax | 2463. | Joichi, Yomogida, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; Tstart: 60. C |
Capillary | DB-Wax | 2436. | Ito, Sugimoto, et al., 2002 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | DB-Wax | 2448. | Kumazawa and Masuda, 2002 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 2451. | Kumazawa and Masuda, 2002 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | TC-WAX FFS | 2431. | Miyazawa, Maehara, et al., 2002 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
Capillary | DB-Wax | 2444. | Kumazawa and Masuda, 2001 | 30. m/0.53 mm/1. μm, He, 5. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | PEG-20M | 2475. | Hirose, Joichi, et al., 1999 | N2, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 220. C |
Capillary | DB-Wax | 2478. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 2460. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 2444. | Kumazawa and Masuda, 1999 | 30. m/0.53 mm/1. μm, 5. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 2450. | Kumazawa and Masuda, 1999 | 60. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | PEG-20M | 2463. | Awano, Ichikawa, et al., 1997 | 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 220. C |
Capillary | TC-Wax | 2465. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | PEG-20M | 2398. | Kubota, Nakamoto, et al., 1991 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2426. | Kaprasob, Laohankunjit, et al., 2011 | Program: 55 0C (2 min) 5 0C/min -> 180 0C (5 min) 8 0C/min -> 230 0C (10 min) |
Capillary | Innowax | 2471. | Noorizadeh, Farmany, et al., 2011 | 60. m/0.25 mm/0.33 μm; Program: not specified |
Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 2455. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 2455. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | HP Innowax | 2471. | 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 | HP-Innowax | 2471. | Senatore, Apostolides Arnold, et al., 2006 | 50. m/0.2 mm/0.2 μm, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
Capillary | DB-FFAP | 2450. | Buettner, 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 220.80 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | SE-52 | 222.66 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 205.26 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, 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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- Symbols used in this document:
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