Quantitative Fourier transform infrared (FTIR) spectra of isoprene and isoprene-d2 also were measured byKühne-mann et al. . [all data], Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References. Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. Isoprene (C5H8) is an abundant, reactive tropospheric hydrocarbon, derived from biogenic emissions. Chemie, 1965, 84, 1-8. STAN., 1950, 45, 5, 406, https://doi.org/10.6028/jres.045.044 Mass Spectrom., 1974, 8, 247. Your institution may already be a subscriber. T = 20 to 300 K. A reexamination of 37BEK/WOO. ; Pilcher, G., Domalski, Eugene S.; Hearing, Elizabeth D., Major manufacturers of polyisoprene rubber are Firestone, Eni, Cray Valley, LG Chem, GoodYear, and Lanxess. click the mouse on the plot to revert to the orginal display. Five prominent Q-branch features were observed and have been assigned to the ν 26 band, the ν 17 band, and three hot bands of these fundamental transitions. Applications. by the U.S. Secretary of Commerce on behalf of the U.S.A. The unimolecular decay rate for d 3 -MVK-oxide is predicted to be a factor of 40 times slower than that for MVK-oxide in the 2ν CH region. Isoprene, also known as 2-methyl-1,3-butadiene, is an organic compound and a structural motif in biological systems. Cox, J.D. Chem., 1971, 75, 1734-1737. Anharmonic frequencies are predicted by VPT2+K simulations … Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. the Chem. The table lists IR spectroscopy frequency ranges, appearance of the vibration and absorptions for functional groups. (Leningrad), 1964, 37, 2204-2210. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. uses its best efforts to deliver a high quality copy of the uses its best efforts to deliver a high quality copy of the Notice: Concentration information is not Some physical properties of isoprene, Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, ; Smirnov, N.I., Volume III, [all data], Bekkedahl, Wood, et al., 1936 values cannot be derived. BUR. The purpose of the fee is to recover costs associated jcamp-dx.js and An infrared study of the sulfur vulcanization process was carried out with very high cis polymers of isoprene‐d 8, isoprene‐3‐d 1 and butadiene‐2,3‐d 2 as well as the corresponding perprotio polymers. (e.g.. NIST Mass Spectrometry Data Center, 1990. Infrared spectrum of 2-methyl-1,3-butadiene (isoprene) recorded in the Ar matrix. COMMERCIAL IR/NR Elastomers. Proc. ; Prosen, E.J., Data Program, but require an annual fee to access. On the basis of detailed analysis of FTIR spectra of polyisoprene, the shift of absorption peaks caused by microstructure content’s variation was discussed. NIST subscription sites provide data under the Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes, Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina, Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes, Fraser and Prosen, 1955 NIST/EPA Gas-Phase Infrared Database Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. Acta, 1977, 60, 2213. Ionization potentials of some molecules, [all data], Cox and Pilcher, 1970 ; Webb, T.R. The interactive spectrum display requires a browser with JavaScript and Interpret the IR spectra of carvone and limonene, and the 13 C NMR spectrum of (-)-carvone. Am. Watanabe, K.; Nakayama, T.; Mottl, J., Because isoprene does not absorb visible light, only the ultraviolet region of the spectrum is shown. Price, W.C.; Walsh, A.D., Note: Please consider using the Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director All rights reserved. ; Dunbar, R.C., LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard, View reactions leading to C5H8+ (ion structure unspecified), Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes. also available. The reaction of ozone with isoprene, one of the most abundant volatile organic compounds in the atmosphere, produces three distinct carbonyl oxide species (RR′COO) known as Criegee intermediates: formaldehyde oxide (CH2OO), methyl vinyl ketone oxide (MVK-OO), and methacrolein oxide (MACR-OO). errors or omissions in the Database. [all data], Stephenson and Malanowski, 1987 following TRC products: Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, Data compiled as indicated in comments: The Raman spectra of cis-1,4-polyisoprene is recorded in the region 100– 4000 cm –1 and its infrared spectra is in the range 200– 4000 cm –1. If the isoprene spectrum on the right was obtained from a dilute hexane solution (c = 4 * 10-5 moles per liter) in a 1 cm sample cuvette, a simple calculation using the above formula indicates a molar absorptivity of 20,000 at the maximum absorption wavelength. . J. Organomet. shall not be liable for any damage that may result from ; Gibson, D.H.; Ong, T.-S., A general reaction search form is Ref. Part 2. Third law studies., It is produced by many plants and animals (including humans) and its polymers are the main component of natural rubber. J. Chem. Sustmann, R.; Schubert, R., J. Isoprene is an unsaturated hydrocarbon. Khim. Messerly J.F., Lossing, F.P. . Methacrolein oxide is one of the ozonolysis products of isoprene present in our atmosphere, but its relevance under humid conditions is not fully understood. Werstiuk, N.H.; Clark, K.B. Note: Please consider using the Stephenson, Richard M.; Malanowski, Stanislaw, TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director reaction search for this species. HTML 5 canvas support. Enter the desired X axis range Shop a large selection of Unsaturated hydrocarbons products and learn more about Isoprene, 98%, stabilized, ACROS Organics. ; Camin, D.L. form is A quantum cascade laser-based infrared spectrometer equipped with a multipass cell has been used to perform sensitive infrared spectroscopy of isoprene at part per billion (ppbv) concentration levels. 329 pages.$10.00, Notice: This spectrum may be better viewed with a Javascript Kuchinskaya, K., Standard Reference Data Act. Stand. Soc., 1975, 97, 1579. errors or omissions in the Database. Rogers, F.E., The absorption spectra of conjugated dienes in the vacuum ultra-violet (1), Third law studies, A typical UV spectrum, that of 2-methyl-1,3-butadiene (isoprene), is shown in Fig. Data Program, but require an annual fee to access. All rights reserved. and Informatics, Microwave spectra (on physics lab web site), Computational Chemistry Comparison and Benchmark Database, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data). Data, 1969, 14, 2, 208-209, https://doi.org/10.1021/je60041a010 [all data], Worley, Webb, et al., 1979 Bowers, Ed., Academic Press, NY, 1979, Ch. Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, References, Notes. [all data], Kuchinskaya, 1938 Conformations of conjugated hydrocarbons. on behalf of the United States of America. Isoprene (C_5H_8) is an abundant, reactive tropospheric hydrocarbon, derived from biogenic emissions. to ion clustering reactions. and chemical property data is available from the All rights reserved. . Fihtengolts, V.S., et al., J. Res. in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Data compilation copyright intended to imply recommendation or endorsement by the National [all data], Fihtengolts, et al., 1969 that these items are necessarily the best available for the purpose. Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 All rights reserved. been selected on the basis of sound scientific judgment. gas phase; Between H2O, MeOH. Database and to verify that the data contained therein have S. V. Lebedeva, 1938, 27-30. 11, Elsevier, 1979. reaction search pages in place of the enumerated reaction Warfield, R.W. of all reactions involving this species. Follow the links above to find out more about the data values cannot be derived. Chem., 1971, 75, 1734-1737. View the Full Spectrum for FREE! [all data], Osborn and Douslin, 1969 [all data], Warfield and Petree, 1965 ; McIver Jr., Searches may be limited Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Two insets show magnified views of C H bending and C H stretching regions, respectively, which are obscured in gas-phase spectra at room temperature. Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K))) The purpose of the fee is to recover costs associated Future versions of this site may rely on On the horizontal axis of the UV spectrum is plotted the wavelength lof the radiation. Entropy of isoprene from heat-capacity measurements, ; Holmes, J.L., Some polyisoprene samples of different microstructure contents were studied by Fourier transform infrared (FTIR) and 1H Nuclear magnetic resonance (1H NMR). © 2018 by the U.S. Secretary of Commerce [all data], Gubkov, Fermor, et al., 1964 Sbornik Trudov Opytnogo Zavoda im. [all data], Holmes, 1974 Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 the I. Enthalpy of addition of isoprene to tetracyanoethylene, National Institute of Standards and (U. S.), 1937, 19, 551. Standard Reference Data Act. on behalf of the United States of America. J. Chem. with the development of data collections included in Conformational analysis and structure elucidation of 2,3-dimethyl and 2,4-dimethyl-2,4-hexadienes by AM1 and He(I) ultraviolet photoelectron spectroscopy, NBS, 1955, 54, 143-148. [all data], Bekkedahl and Wood, 1937, 2 Data, 1970, 15, 227-232. [all data], Messerly J.F., 1970 HL - Edward P. Hunter and Sharon G. Lias Chem., 1990, 68, 2078. Use or mention of technologies or programs in this web site is not ; Todd, S.S.; Guthrie, G.B., Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., Copyright for NIST Standard Reference Data is governed by displays seen below. The … Masclet, P.; Mouvier, G.; Bocquet, J.F., [all data], Bieri, Burger, et al., 1977 View image of digitized HTML 5 canvas support. Soc., 1984, 106, 6917. SRD 103a – Thermo Data Engine (TDE) for pure compounds. LL - Sharon G. Lias and Joel F. Liebman This page allows searching NIST/EPA Gas-Phase Infrared Database Vapor pressure relations for the seven pentadienes, View the Full Spectrum for FREE! Select a region with data to zoom. [all data], Bartmess and McIver Jr., 1979 Chem., 1979, 168, 16. Follow the links above to find out more about the data Eng. Reid, Robert C., Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) [all data], Sustmann and Schubert, 1972 Phys., 1981, 78, 99. Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. AC - William E. Acree, Jr., James S. Chickos Tetrahedron Lett., 1972, 27, 2739. This page allows searching Structure, properties, spectra, suppliers and links for: Isoprene, 78-79-5. Data compiled as indicated in comments: Chim. A detailed understanding of the spectroscopy of isoprene is therefore desirable. Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein NIST Standard Reference NBS, 1937, 19, 551-558. Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, Ing. Eng. available from the NIST/EPA/NIH Mass Spectral Library. and Informatics, Microwave spectra (on physics lab web site), Computational Chemistry Comparison and Benchmark Database, 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. A detailed understanding of the spectroscopy of isoprene is therefore desirable. This IR spectrum is from the such sites. The IR Spectrum Table is a chart for use during infrared spectroscopy. [all data], Jessup, 1938 The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond π-orbitals and non-bonded pseudo-π orbitals of methyl groups?, J. Res. its accompanying search program. Institute of Standards and Technology, nor is it intended to imply [all data], Lossing and Holmes, 1984 Entropy of isoprene from heat-capacity measurements., Spiropentane - methylenecyclobutane - isoprene, The nature of the substituents (R,R′ = H, CH3, CH═CH2) and … Use or mention of technologies or programs in this web site is not J. Phys. with the development of data collections included in Soc. J. click the mouse on the plot to revert to the orginal display. and HTML 5 enabled browser. 15.5. Through the choice, calculatio… Due to its outstanding strength and excellent compression set, isoprene rubber is the preferred material … ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein [all data], Werstiuk, Clark, et al., 1990 Ref. ; Todd, S.S.; Guthrie, G.B., in these sites and their terms of usage. The high-resolution infrared spectrum of isoprene (C 5 H 8) has been observed in the region of the ν 26 band near 992 cm −1 using a quantum cascade laser-based spectrometer. . 749cm-1 in the IR spectrum of BIIR are due to C-H out of plane bending vibrations. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 shall not be liable for any damage that may result from ; Fermor, N.A. J. Phys. been selected on the basis of sound scientific judgment. Ionisation et fragmentation d'isomeres C5H8 sous impact electronique. ; Coefficents calculated by NIST from author's data. Select a region with no data or [all data], Beez, Bieri, et al., 1973 A quantitative model is designed with the aid of 1 H NMR spectroscopy. DH - Eugene S. Domalski and Elizabeth D. Hearing, Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, Data compiled as indicated in comments: A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 The mass spectra of isomeric hydrocarbons - II: The C5H8 isomers, spiropentane, cyclopentene, 1,3-pentadiene and isoprene; the mechanisms and energetics of their fragmentations, Chem. ; Petree, M.C., Cariflex™ IR latex is the ideal combination of the right polyisoprene structure with a complex emulsification process, allowing for improved control and consistency in the absence of gel particles.
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