French, M.A. Ethylbenzene is an organic compound with the formula C 6 H 5 CH 2 CH 3.It is a highly flammable, colorless liquid with an odor similar to that of gasoline.This monocyclic aromatic hydrocarbon is important in the petrochemical industry as an intermediate in the production of styrene, the precursor to polystyrene, a common plastic material. Abstract published in Advance ACS Abstracts, October 1, 1996. its accompanying search program. Chem. [all data], Rogers and McLafferty, 1971 reaction search pages in place of the enumerated reaction European Journal of Mass Spectrometry … Select a region with data to zoom. J. ; Skinner, H.A., Please note: If you switch to a different device, you may be asked to login again with only your ACS ID. J. [all data], Davis, Allinger, et al., 1985 Khim. Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, The following components were used in generating the plot: Additonal code used was developed at NIST: Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. V. Heats of hydrogenation of various hydrocarbons, Xylene Isomer Mass Spectral Identification through Metal Ion Chemistry in an FTICR, Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik, Iceland. NIST Standard Reference The ortho, meta, and para isomers of xylene are identified in a Fourier transform mass spectrometer by reactions with V+ and VO+. Follow the links above to find out more about the data C–H bond activation versus ring cleavage in the gas phase ion-molecule reactions of Nb+ and Ta+ with toluene and picoline. The identification of ethylbenzene and the xylenes must be done on the basis of the retention time. Free energy of reaction at standard conditions, Enthalpy of reaction at standard conditions. available from the NIST/EPA/NIH Mass Spectral Library. This MassBank Record with Accession JP012245 contains the MS mass spectrum of 'ETHYLBENZENE'. Notice: This spectrum may be better viewed with a Javascript A few compounds have mass spectra which don't contain a molecular ion peak, because all the molecular ions break into fragments. Tetrahedron, 1971, 27, 3765-3775. Technology, Office of Data Journal of Photochemistry and Photobiology A: Chemistry. with the development of data collections included in [all data], Bartmess, Scott, et al., 1979 Chemical equilibrium in styrene formation from ethyl-benzene at low pressures, Find more information about Crossref citation counts. Select a region with no data or Gas chromatography-mass spectrometry analysis of methylated extracts from ethylbenzene-grown cultures of strain EbS7 revealed three metabolites. Please see the following for information about Standard Reference Data Act. ; Alenin, V.I. NIST subscription sites provide data under the Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.075 (BCF = 118.7) log Kow used: 3.60 (estimated) Volatilization from Water: Henry LC: 0.00974 atm … CopyCopied, InChI=1S/C10H14O/c1-3-9-5-7-10(8-6-9)11-4-2/h5-8H,3-4H2,1-2H3 J. This MassBank Record with Accession JP012245 contains the MS mass spectrum of 'ETHYLBENZENE' with the InChIKey 'YNQLUTRBYVCPMQ-UHFFFAOYSA-N'. [all data], Maas and van Keelen, 1989 This time the base peak (the tallest peak - and so the commonest fragment ion) is at m/z = 57. Direct mass spectrometry (DMS) techniques invariably struggle to speciate ethylbenzene from the xylene isomers, yet increasingly regulators are imposing different emission and exposure limits for these compounds. There are some differences in the ion ratios of fragments in the mass spectra of the xylenes and ethylbenzene, but the library matching will generally give almost identical match scores for the compounds. Note: Please consider using the that these items are necessarily the best available for the purpose. Merdzhanov, V.R. the We use DB-624 and the order is ethylbenzene:m,p-Xylene;o-Xylene. almost any silicone or PEG column will separate EB from Xylenes. Ethylbenzene dehydrogenase (EbDH) catalyzes the initial step in anaerobic degradation of ethylbenzene in denitrifying bacteria, namely, the oxygen-independent hydroxylation of ethylbenzene to ( S )-1 … ; Jimenez, P.; Roux, M.V. o and Informatics, NIST Polycyclic Aromatic Hydrocarbon Structure Index, NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data), NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data), NIST Mass Spectrometry Data Center, William E. Wallace, director, Modified by NIST for use in this application,, gas phase; From decarboxylation threshold. The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. That´s surprising, I would have guessed that ethylbenzene would give a very prominent benzyl and/or phenyl fragment, while the xylenes would not. Am. Use or mention of technologies or programs in this web site is not Davis, H.E. . gas phase; value altered from reference due to change in acidity scale; gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; gas phase; Heat of isomerization at 349 K; liquid phase; solvent: Hydrocarbon; Like gas phase; 1.) All rights reserved. also available. A general reaction search Am. Future versions of this site may rely on ; Vaughan, W.E., Database and to verify that the data contained therein have its accompanying search program. This article is cited by ; Squires, R.R., International Journal of Mass Spectrometry. I knew the spetra between Ethylbenzene and xylenes are similar, but never really looked into it. in these sites and their terms of usage. These metabolites could not be detected in cultures grown on n-hexanoate or 3-phenylpropionate or in sterile control medium incubated with ethylbenzene. Select a region with data to zoom. Notice: This spectrum may be better viewed with a Javascript the Altmetric Attention Score and how the score is calculated. and HTML 5 enabled browser. Int. errors or omissions in the Database. Clicking on the donut icon will load a page at with additional details about the score and the social media presence for the given article. Cox, J.D. NIST Standard Reference Am. intended to imply recommendation or endorsement by the National A new hydrogen calorimeter. Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone, [all data], Cox and Pilcher, 1970 Copyright for NIST Standard Reference Data is governed by Enter the desired X axis range Heats of organic reactions. Trans. Comparing differentiation of xylene isomers by electronic ionization, chemical ionization and self-ion/molecule reactions and the first observation of methyne addition ions for xylene isomers in self-ion/molecule reactions for non-nitrogenated compounds. Quantitative Mass Spectrometric Identification of Isomers Applying Coherent Laser Control. All rights reserved. Go To: Top, Mass spectrum (electron ionization), References, Notes. Gas-Phase Reactions of M+ and MO+ (M = Sc, Ti, V) with Toluene. Heats of hydrogenation Part 2.-Acetylene derivatives, the Mass spectrum (electron ionization) Go To: Top , Reaction thermochemistry data , References , Notes Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A.


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