2-Butenoic acid, methyl ester, (E)-

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Gas phase thermochemistry data

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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
Δfgas-81.7 ± 0.5kcal/molCcbSchjanberg, 1936Heat of formation derived by Cox and Pilcher, 1970

Gas Chromatography

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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, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBP-201100.MacLeod and Pieris, 1983H2, 65. C @ 3. min, 12. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 180. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS756.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryCP Sil 5 CB726.Pino, Almora, et al., 200360. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1094.Varming, Petersen, et al., 200430. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 25. min
CapillaryAT-Wax1088.Pino, Almora, et al., 200360. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryCarbowax 20M1110.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C
CapillaryCarbowax 20M1115.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C
PackedCarbowax 20M1102.van den Dool and Kratz, 1963Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryMDN-5761.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryMDN-5760.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryUltra-1753.Iwaoka, Zhang, et al., 199350. m/0.31 mm/0.17 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySE-30745.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1094.Takeoka, Buttery, et al., 199160. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min, 180. C @ 25. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1115.Sampaio, Garruti, et al., 201130. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)
CapillaryCarbowax 20M1100.Vinogradov, 2004Program: not specified
CapillaryDB-Wax1108.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1102.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Schjanberg, 1936
Schjanberg, E., Die verbrennungswarmen und die refraktionsdaten einiger crotonsaureeste, Z. Phys. Chem., 1936, 175, 289-342. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

MacLeod and Pieris, 1983
MacLeod, A.J.; Pieris, N.M., Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products, J. Agric. Food Chem., 1983, 31, 5, 1005-1008, https://doi.org/10.1021/jf00119a021 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L., Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling, J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t . [all data]

Suárez and Duque, 1991
Suárez, M.; Duque, C., Volatile constituents of lulo (Salanum vestissimum D.) fruit, J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [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]

Iwaoka, Zhang, et al., 1993
Iwaoka, W.T.; Zhang, X.; Hamilton, R.A.; Chia, C.L.; Tang, C.S., Identifying volatiles in soursop and comparing their changing profiles during ripening, HortScience, 1993, 28, 8, 817-819. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Takeoka, Buttery, et al., 1991
Takeoka, G.R.; Buttery, R.G.; Teranishi, R.; Flath, R.A.; Güntert, M., Identification of additional pineapple volatiles, J. Agric. Food Chem., 1991, 39, 10, 1848-1851, https://doi.org/10.1021/jf00010a032 . [all data]

Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP., Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration, J. Sci. Food Agric., 2011, 91, 10, 1801-1809, https://doi.org/10.1002/jsfa.4385 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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