Ethanone, 1-(4-ethylphenyl)-

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Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil512.KN/AAllinger and Hu, 1962Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus248.9KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.25 K; TRC
Tfus252.6KN/ABirch, Dean, et al., 1949Uncertainty assigned by TRC = 2. K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
398.20.027Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
42.2309.AStephenson and Malanowski, 1987Based on data from 294. to 368. K.; AC
39.8368.N/AKhorevskaya and Byk, 1968Based on data from 293. to 423. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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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 Japan AIST/NIMC Database- Spectrum MS-IW-1374
NIST MS number 229185

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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

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

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Column type Active phase I Reference Comment
CapillaryHP-51281.Singer, Flach, et al., 200430. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 310. C
CapillaryDB-51273.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1867.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1867.Shimoda, Shigematsu, et al., 1995, 260. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-21267.Quiroz, Fuentes-Contreras, et al., 199940. C @ 4. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 300. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1281.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1295.Robinson, Adams, et al., 2012Program: not specified
CapillarySiloxane, 5 % Ph1277.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1277.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryDB-51274.Yusuf and Bewaji, 2011Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryHP Ultra 11228.Hernandes, Vargas-Arispuro, et al., 199925. m/0.20 mm/0.33 μm, Nitrogen; Program: 50 0C 4 0C/min -> 180 0C 10 0C/min -> 280 0C
CapillaryHP Ultra 11245.Hernandes, Vargas-Arispuro, et al., 199925. m/0.20 mm/0.33 μm, Nitrogen; Program: 50 0C 4 0C/min -> 180 0C 10 0C/min -> 280 0C

References

Go To: Top, Phase change data, IR Spectrum, 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.

Allinger and Hu, 1962
Allinger, N.L.; Hu, S., Conformational Analysis XXI. The Ethyl Group, J. Am. Chem. Soc., 1962, 84, 370-2. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Birch, Dean, et al., 1949
Birch, S.F.; Dean, R.A.; Fidler, F.A.; Lowry, R.A., The preparation of the c(10) monocyclic aromatic hydrocarbons, J. Am. Chem. Soc., 1949, 71, 1362. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Khorevskaya and Byk, 1968
Khorevskaya, A.S.; Byk, S.Sh., Zh. Prikl. Khim. (Leningrad), 1968, 41, 11, 2566. [all data]

Singer, Flach, et al., 2004
Singer, R.B.; Flach, A.; Koehler, S.; Marsaioli, A.J.; Amaral, M.C.E., Sexual Mimicry in Mormolyca ringens (Lindl.) Schltr. (Orchidaceae: Maxillariinae), Ann. Bot. Rome, 2004, 93, 6, 755-762, https://doi.org/10.1093/aob/mch091 . [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

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 . [all data]

Shimoda, Shigematsu, et al., 1995, 2
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of volatile compounds among different grades of green tea and their relations to odor attributes, J. Agric. Food Chem., 1995, 43, 6, 1621-1625, https://doi.org/10.1021/jf00054a038 . [all data]

Quiroz, Fuentes-Contreras, et al., 1999
Quiroz, A.; Fuentes-Contreras, E.; Ramírez, C.C.; Russell, G.B.; Niemeyer, H.M., Host-plant chemicals and distribution of Neuquenaphis ON Nothofagus, J. Chem. Ecol., 1999, 25, 5, 1043-1054, https://doi.org/10.1023/A:1020825707922 . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., GC-MS of volatile components of fermented wheat germ extract, J. Cereals Oilseeds, 2011, 2, 3, 38-42. [all data]

Hernandes, Vargas-Arispuro, et al., 1999
Hernandes, N.N.; Vargas-Arispuro, I.; Sanz, I.; Adelantado, M.; Primo-Yufera, E., Electroantennogram activity and attraction assay of Ceratitis capitata to aiborne volatiles from peach at three ripeness stages, The Southwestern entomologist, 1999, 24, 2, 133-142. [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References