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on behalf of the United States of America. Naturforsch., 1966, 21a, 196. Select a region with no data or InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3, National Institute of Standards and errors or omissions in the Database. available from the NIST/EPA/NIH Mass Spectral Library. Ionization potentials of some molecules, Spectry. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director Alkanes and chloro-, bromo- and iodoalkanes, [all data], Olmsted, Street, et al., 1964 such sites. © 2018 by the U.S. Secretary of Commerce Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Notice: Concentration information is not Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Notes, Reid, 1972 with the development of data collections included in such sites. Part 2. The purpose of the fee is to recover costs associated errors or omissions in the Database. All rights reserved. been selected on the basis of sound scientific judgment. Go To: Top, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), References, Notes. RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron, Go To: Top, Gas phase ion energetics data, References, Notes, Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. Excess-kinetic-energy ions in organic mass spectra, J. click the mouse on the plot to revert to the orginal display. Lewis, D.; Hamill, W.H., Database and to verify that the data contained therein have Data compilation copyright and Informatics, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data). values cannot be derived. Please see the following for information about Luo, Y.-R.; Pacey, P.D., Ber. All mass spectra in this site (plus many more) are Am. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) Your institution may already be a subscriber. Lias, S.G.; Ausloos, P.; Horvath, Z., NIST subscription sites provide data under the Chim. available for this spectrum and, therefore, molar absorptivity on behalf of the United States of America. NIST subscription sites provide data under the Spectrom. jcamp-plot.js. Use or mention of technologies or programs in this web site is not Bull. Lias, S.G., in these sites and their terms of usage. More information on the manner in which spectra in this collection were collected can be found here. [all data], Steiner, Giese, et al., 1961 Go To: Top, Phase change data, Henry's Law data, IR Spectrum, References, Notes. Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes, Kinet., 1976, 8, 725. Bunsen-Ges. jcamp-dx.js and J. Chem. Massenspektrometrische Untersuchung der Photoionisation von Molekulen, jcamp-plot.js. spectrum (can be printed in landscape orientation). [all data], Brehm, 1966 Potzinger, P.; Bunau, G.v., errors or omissions in the Database. LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi Brehm, B., by the U.S. Secretary of Commerce on behalf of the U.S.A. Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes, Luo and Pacey, 1992 J. Chem. the following TRC products: Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes, kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K))) College Station, Texas(1971). binary mixtures and chemical reactions, SRSD 2 – Web Thermo Tables (WTT), "lite" edition, SRSD 3 – Web Thermo Tables (WTT), professional edition, SRD 156 – Clathrate Hydrate Physical Property Database, NIST Mass Spectrometry Data Center, William E. Wallace, director, Modified by NIST for use in this application. uses its best efforts to deliver a high quality copy of the by the U.S. Secretary of Commerce on behalf of the U.S.A. [all data], Watanabe, Nakayama, et al., 1962 Molecular photoelectron spectroscopy, Mautner(Meot-Ner), M.; Sieck, L.W. Data compilation copyright and Informatics, 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. This time the base peak (the tallest peak - and so the commonest fragment ion) is at m/z = 57. Your institution may already be a subscriber. J. Copyright for NIST Standard Reference Data is governed by The mass spectrum of pentan-3-one. Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, the library and Your institution may already be a subscriber. Chem. Heptane. Data Program, but require an annual fee to access. AC - William E. Acree, Jr., James S. Chickos. Follow the links above to find out more about the data and HTML 5 enabled browser. LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard Standard Reference Data Act. [all data], Lias, Ausloos, et al., 1976 Int. Standard Reference Data Act. SRD 103a – Thermo Data Engine (TDE) for pure compounds. Use this link for bookmarking this species for future reference. Technology, Office of Data Labbauf, A.; Greenshields, J.B.; Rossini, F.D., The purpose of the fee is to recover costs associated [all data], Lias, 1982 The following components were used in generating the plot: Additonal code used was developed at NIST: Eng. Dissociation of excited molecular ions, Phys., 1970, 52, 6348. Select a region with data to zoom. ; Inghram, M.G., Copyright for NIST Standard Reference Data is governed by (e.g., Japan AIST/NIMC Database- Spectrum MS-NW-3634, Temperature dependence parameter for Henry's Law constant, Enthalpy of vaporization at standard conditions. NIST/EPA Gas-Phase Infrared Database . [all data], Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) 1.) intended to imply recommendation or endorsement by the National Select a region with data to zoom. This IR spectrum is from the spectrum (can be printed in landscape orientation). However, NIST makes no warranties to that effect, and NIST NIST Standard Reference Data, 1961, 6, 261-263. Enter the desired X axis range Steiner, B.; Giese, C.F. [all data], Turner and Al-Joboury, 1964 View image of digitized HTML 5 canvas support. been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST Follow the links above to find out more about the data Select a region with no data or [all data], Labbauf, Greenshields, et al., 1961 Data evaluated as indicated in comments: Belges, 1964, 73, 428. NIST Standard Reference uses its best efforts to deliver a high quality copy of the All rights reserved. The purpose of the fee is to recover costs associated and HTML 5 enabled browser. The interactive spectrum display requires a browser with JavaScript and All rights reserved. L - Sharon G. Lias, Data compiled as indicated in comments: that these items are necessarily the best available for the purpose. 1982, 1982, 409. HTML 5 canvas support. click the mouse on the plot to revert to the orginal display. All rights reserved. 329 pages.$10.00, Photoionization of alkanes. View image of digitized However, NIST makes no warranties to that effect, and NIST with the development of data collections included in its accompanying search program. NIST subscription sites provide data under the such sites. Soc. AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 Thermochemical information from ion-molecule rate constants, © 2018 by the U.S. Secretary of Commerce . and Informatics, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data). Int. in these sites and their terms of usage. Molecular Formula C 7 H 16; Average mass 100.202 Da; Monoisotopic mass 100.125198 Da; ChemSpider ID 8560 Standard Reference Data Act. Exact Mass: 114.140851 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Monoisotopic Mass: 114.140851 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Topological Polar Surface Area: 0 Ų: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Heavy Atom Count: 8: Computed by PubChem: Formal Charge: 0: Computed by PubChem: Complexity: 37.3 Database and to verify that the data contained therein have Olmsted, J., III; Street, K., Jr.; Newton, A.S., Please see the following for information about Watanabe, K.; Nakayama, T.; Mottl, J., that these items are necessarily the best available for the purpose. NIST Standard Reference shall not be liable for any damage that may result from J. Chem. [all data], Potzinger and Bunau, 1969 jcamp-dx.js and shall not be liable for any damage that may result from Ion Cyclotron Reson. Use this link for bookmarking this species for future reference. uses its best efforts to deliver a high quality copy of the Institute of Standards and Technology, nor is it intended to imply Heptane-1,2,3,4-d9; Heptane-1,2,3,-d7; Heptane-1-d3; Heptane-d16; Other names: n-Heptane; Dipropylmethane; Heptyl hydride; Skellysolve C; n-C7H16; Eptani; Heptan; Heptanen; Gettysolve-C; NSC 62784 Permanent link for this species. All mass spectra in this site (plus many more) are intended to imply recommendation or endorsement by the National

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