Butanal, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N
- CAS Registry Number: 590-86-3
- 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: Isovaleraldehyde; β-Methylbutanal; Isopentanal; Isovaleral; Isovaleric aldehyde; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutanal; 3-Methylbutyraldehyde; iso-C4H9CHO; Butyraldehyde, 3-methyl-; Isoamylaldehyde; Isopentaldehyde; 1-Butanal, 3-methyl-; 2-Methylbutanal-4; 3-Methyl-1-butanal; NSC 404119
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Van Den Dool and Kratz RI, 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 | DB-FFAP | DB-FFAP | FFAP | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 35. | 35. | 35. | 35. | 40. |
Tend (C) | 225. | 225. | 225. | 225. | 250. |
Heat rate (K/min) | 4. | 4. | 10. | 10. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. | 5. |
Final hold (min) | 30. | 30. | 25. | 25. | 15. |
I | 922. | 927. | 913. | 933. | 876. |
Reference | Jarunrattanasri, Theerakulkait, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | CP-Wax 52CB | CP-Wax 52CB | Supelcowax-10 |
Column length (m) | 30. | 30. | 50. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 50. | 60. | 35. | 40. |
Tend (C) | 240. | 230. | 220. | 203. | 280. |
Heat rate (K/min) | 6. | 10. | 4. | 3. | 4. |
Initial hold (min) | 2. | 5. | 5. | 4. | 2. |
Final hold (min) | 10. | 25. | 30. | ||
I | 930. | 916. | 909. | 914. | 918. |
Reference | Steinhaus and Schieberle, 2007 | Fernandez-Segovia, Escriche, et al., 2006 | Mahadevan and Farmer, 2006 | Alasalvar, Taylor, et al., 2005 | Elmore, Nisyrios, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-FFAP | DB-FFAP |
Column length (m) | 60. | 60. | 30. | 15. | 15. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 45. | 40. | 35. | 35. |
Tend (C) | 250. | 250. | 200. | 225. | 225. |
Heat rate (K/min) | 5. | 5. | 10. | 10. | 10. |
Initial hold (min) | 1. | 1. | 3. | 5. | 5. |
Final hold (min) | 12. | 12. | 20. | 15. | 15. |
I | 940. | 930. | 925. | 915. | 928. |
Reference | Malliaa, Fernandez-Garcia, et al., 2005 | Malliaa, Fernandez-Garcia, et al., 2005 | Whetstine, Cadwallader, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 15. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.53 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | 0.25 |
Tstart (C) | 35. | 35. | 40. | 40. | 30. |
Tend (C) | 240. | 200. | 200. | 200. | 225. |
Heat rate (K/min) | 6. | 10. | 10. | 10. | 10. |
Initial hold (min) | 2. | 5. | 5. | 5. | 2. |
Final hold (min) | 6. | 30. | 30. | 30. | 20. |
I | 941. | 906. | 915. | 912. | 922. |
Reference | Peterson and Reineccius, 2003 | Karagül-Yüceer, Cadwallader, et al., 2002 | Wu and Cadwallader, 2002 | Wu and Cadwallader, 2002 | Zhou, Wintersteen, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-Wax | DB-Wax | DB-Wax | CP-Wax 52CB |
Column length (m) | 15. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 30. | 40. | 40. | 40. | 50. |
Tend (C) | 225. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 10. | 2. | 2. | 2. | 2. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 20. | 30. | |||
I | 915. | 912. | 932. | 932. | 907. |
Reference | Zhou, Wintersteen, et al., 2002 | Kim, 2001 | Lee, Suriyaphan, et al., 2001 | Lee, Suriyaphan, et al., 2001 | Liu, Yang, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 50. | 40. | 40. | 40. |
Tend (C) | 160. | 230. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 5. | 6. | 3. | 6. |
Initial hold (min) | 3. | 5. | 5. | 5. | |
Final hold (min) | 5. | 15. | 30. | 60. | 30. |
I | 943. | 929. | 902. | 911. | 911. |
Reference | Beauchene, Grua-Priol, et al., 2000 | Stephan and Steinhart, 1999 | Cha and Cadwallader, 1998 | Cha, Kim, et al., 1998 | Cha, Kim, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | Carbowax 20M | DB-Wax | HP-20M |
Column length (m) | 30. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.425 | 0.25 | |
Tstart (C) | 20. | 50. | 45. | 50. | 60. |
Tend (C) | 200. | 230. | 300. | 230. | 190. |
Heat rate (K/min) | 4. | 3. | 3. | 2. | 3. |
Initial hold (min) | 1. | 3. | |||
Final hold (min) | 1. | 20. | |||
I | 919. | 911. | 909. | 906. | 929. |
Reference | Ott, Fay, et al., 1997 | Shimoda, Peralta, et al., 1996 | Mondello, Dugo, et al., 1995 | Shimoda, Shigematsu, et al., 1995 | Chung, Eiserich, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 50. | 60. | 60. | 60. | 60. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 50. | 40. | 40. |
Tend (C) | 210. | 230. | 230. | 175. | 175. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | 5. | 5. | |
Final hold (min) | 30. | 30. | 20. | 20. | |
I | 936. | 914. | 914. | 911. | 914. |
Reference | Chung, Eiserich, et al., 1993 | Shiratsuchi, Shimoda, et al., 1993 | Shiratsuchi, Shimoda, et al., 1993 | Matiella and Hsieh, 1990 | Tanchotikul and Hsieh, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 60. | 60. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Tstart (C) | 40. | 40. |
Tend (C) | 175. | 175. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | 5. | 5. |
Final hold (min) | 20. | 20. |
I | 918. | 912. |
Reference | Tanchotikul and Hsieh, 1989 | Vejaphan, Hsieh, et al., 1988 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474
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Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R.,
Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225
. [all data]
Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R.,
Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q
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Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
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Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P.,
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092
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Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A.,
In?uence of di?erent preservation treatments on the volatile fraction of desalted cod,
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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
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Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
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Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
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Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O.,
Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses,
Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007
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Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A.,
Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o
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Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
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Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A.,
Characterization of the volatile compounds that constitute fresh sweet cream butter aroma,
Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192
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Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
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Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R.,
Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076
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Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R.,
Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey,
J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g
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Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R.,
Aroma components of cooked tail meat of American lobster (Homarus americanus),
J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t
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Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M.,
Changes of volatiles in soy sauce-stewed pork during cold storage and reheating,
J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978
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Beauchene, Grua-Priol, et al., 2000
Beauchene, D.; Grua-Priol, J.; Lamer, T.; Demaimay, M.; Quemeneur, F.,
Concentration by pervaporation of aroma compounds from Fucus serratus,
J. Sci. Food Agric., 2000, 75, 451-458. [all data]
Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H.,
Identification of character impact odorants of different soybean lecithins,
J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g
. [all data]
Cha and Cadwallader, 1998
Cha, Y.J.; Cadwallader, K.R.,
Aroma-active compounds in skipjack tuna sauce,
J. Agric. Food Chem., 1998, 46, 3, 1123-1128, https://doi.org/10.1021/jf970380g
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Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
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Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
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Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
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Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
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Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
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Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb),
J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033
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Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y.,
Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027
. [all data]
Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y.,
Analysis of crabmeat volatile compounds,
J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x
. [all data]
Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x
. [all data]
Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S.,
Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat,
J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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