Pyrrole
- Formula: C4H5N
- Molecular weight: 67.0892
- IUPAC Standard InChIKey: KAESVJOAVNADME-UHFFFAOYSA-N
- CAS Registry Number: 109-97-7
- 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-Pyrrole; Azole; Divinylenimine; Imidole; Monopyrrole; Pyrrol; 1-Aza-2,4-cyclopentadiene; Divinyleneimine; Parzate; NSC 62777
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VF-5 MS | VF-5 MS | HP-5 | ZB-5 | SLB-5MS |
Column length (m) | 60. | 60. | 60. | 30. | 10. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.18 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.18 |
Tstart (C) | 30. | 30. | 35. | 40. | 40. |
Tend (C) | 260. | 260. | 220. | 280. | 295. |
Heat rate (K/min) | 2. | 2. | 10. | 6. | 10. |
Initial hold (min) | 1. | 1. | 1.5 | ||
Final hold (min) | 28. | 28. | 15. | 9. | |
I | 750. | 757. | 755. | 751. | 768. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Piyachaiseth, Jirapakkul, et al., 2011 | Harrison and Priest, 2009 | Risticevic, Carasek, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | MDN-5 | RTX-5 | SPB-5 | DB-1 |
Column length (m) | 60. | 60. | 20. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.18 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 1. | |
Tstart (C) | 40. | 40. | 20. | 40. | 30. |
Tend (C) | 270. | 270. | 290. | 200. | 200. |
Heat rate (K/min) | 4. | 4. | 40. | 3. | 4. |
Initial hold (min) | 4. | 4. | 3.5 | 25. | |
Final hold (min) | 5. | 5. | 0.5 | 20. | |
I | 748. | 755. | 750. | 755. | 725. |
Reference | van Loon, Linssen, et al., 2005 | van Loon, Linssen, et al., 2005 | Sies A., Hirsch R., et al., 2002 | Poligné, Collignan, et al., 2001 | Buttery, Ling, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | DB-1 | DB-5 | DB-5 | OV-101 |
Column length (m) | 25. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.31 |
Phase thickness (μm) | 0.5 | ||||
Tstart (C) | 35. | 30. | 40. | 40. | 0. |
Tend (C) | 250. | 200. | 160. | 160. | 225. |
Heat rate (K/min) | 5. | 4. | 2. | 2. | 3. |
Initial hold (min) | 2. | 25. | 5. | 5. | 1. |
Final hold (min) | 20. | ||||
I | 765. | 730. | 762. | 762. | 768. |
Reference | Bellesia, Pinetti, et al., 1996 | Buttery and Ling, 1995 | Macku and Shibamoto, 1991 | Macku and Shibamoto, 1991, 2 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
Sies A., Hirsch R., et al., 2002
Sies A.; Hirsch R.; Löscher R.; Tablack P.; Guth H.,
Direct thermal desorption and Fast-GC-TOF-MS for a rapid quality control of hazelnuts, 10th Weurman Flavour Research Symposium, 24 - 28 June 2002, Beaune, France, 2002. [all data]
Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G.,
Characterization of traditional processing of pork meat into boucané,
Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0
. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
Bellesia, Pinetti, et al., 1996
Bellesia, F.; Pinetti, A.; Bianchi, A.; Tirillini, B.,
Volatile compounds of the white truffle (Tuber magnaturn Pico) from middle Italy,
Flavour Fragr. J., 1996, 11, 4, 239-243, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<239::AID-FFJ573>3.0.CO;2-A
. [all data]
Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C.,
Volatile flavor components of corn tortillas and related products,
J. Agric. Food Chem., 1995, 43, 7, 1878-1882, https://doi.org/10.1021/jf00055a023
. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Macku and Shibamoto, 1991, 2
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021
. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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