Anisole is a colorless organic liquid that has a smell similar to anise seed. . Between o-methoxyphenide and Me2NH. InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3, National Institute of Standards and Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 [all data], Dahlke and Kass, 1992 Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. Int. M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias Soluble in= ALCOHOL; ETHER, ANISOLE, P-NITRO-,
© 2018 by the U.S. Secretary of Commerce Electronic interactions of n-π and σ-π types in conformational stabilization. Anisole and thioanisole are planar whereas selenoanisole is vertical. J. Amunugama, R.; Rodgers, M.T., ; Ikuta, S.; Kebarle, P., Standard Reference Data Act. [all data], Go To: Top, Reaction thermochemistry data, References. [all data], Brennan and Ubbelohde, 1956 All rights reserved. ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein Part IV. NIST subscription sites provide data under the A retarding electron spectrometer of the magnetic bottle type for crossed beams. Copyright © 2020 Elsevier B.V. or its licensors or contributors. The σ-π interaction is calculated to become stronger on going X = O → S → Se. Influence of substituents on cation-pi interactions - 5. The purpose of the fee is to recover costs associated ; Kebarle, P., ScienceDirect ® is a registered trademark of Elsevier B.V. ScienceDirect ® is a registered trademark of Elsevier B.V. Penning ionization electron spectroscopy of anisole, thioanisole, and selenoanisole by collision with He*(2. Am. shall not be liable for any damage that may result from
displays seen below. 4-METHOXYNITROBENZENE
J. SpectraBase Compound ID=IZMJa8bdJvd
We use cookies to help provide and enhance our service and tailor content and ads. Bond-strength differences based on the reaction: RI + HI = RH + I2, where R = p-methoxyphenyl and cyclohexyl, with the development of data collections included in The electronic structures of chalcogenoanisole C6H5XCH3 (X = O, S, and Se) have been determined by Penning ionization electron spectroscopy experiments with density functional theory (DFT), multi-configuration molecular orbital, and natural bond orbital (NBO) calculations. Dahlke, G.D.; Kass, S.R., Data compiled as indicated in comments: Insoluble in= WATER
https://doi.org/10.1016/j.cplett.2020.137653. However, NIST makes no warranties to that effect, and NIST p-METHOXYNITROBENZENE. ; gas phase; Acid: anisole. The valence ionizations of the anisole analogues C 6 H 4 XCH 3 (X = O, S, and Se) have been recorded extensively by He I ultraviolet photoelectron spectroscopy and He*(2 3 S) Penning ionization electron spectroscopy experiments with a newly developed retarding electron spectrometer of the magnetic bottle type. By formula: (Li+ • C7H8O) + C7H8O = (Li+ • 2C7H8O), By formula: (Na+ • C7H8O) + C7H8O = (Na+ • 2C7H8O), By formula: (Cs+ • C7H8O) + C7H8O = (Cs+ • 2C7H8O), By formula: (Rb+ • C7H8O) + C7H8O = (Rb+ • 2C7H8O), By formula: (K+ • C7H8O) + C7H8O = (K+ • 2C7H8O), Go To: Top, Reaction thermochemistry data, Notes, Paul and Kebarle, 1991 By continuing you agree to the use of cookies. of all reactions involving this species. . It can be found in nature or synthesized in a lab, however it is mainly made synthetically and it is a precursor to other synthetic compounds. Quantity Value Units Method Reference Comment; Δ r H°: 49.4 ± 7.5: kJ/mol: IMRE: Paul and Kebarle, 1991: gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; … A thermochemical evaluation of bond strengths in some carbon compounds. Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. http://spectrabase.com/spectrum/FVw062oev0d, View entire compound with free spectra: 15 NMR, 3 FTIR, and 1 UV-Vis, InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3, The Matheson Company, Inc., East Rutherford, New Jersey. (accessed Nov 13, 2020). Copyright for NIST Standard Reference Data is governed by This page allows searching
ADVANCED SEARCH STRUCTURE SEARCH All rights reserved. such sites. RCD - Robert C. Dunbar. Download : Download high-res image (129KB)Download : Download full-size image. By continuing to browse the site you are agreeing to our use of cookies. Data Program, but require an annual fee to access. form is
Wiley SpectraBase;
Int. Transmission Infrared (IR) Spectrum of ANISOLE, P-NITRO-, with properties. Technology, Office of Data B - John E. Bartmess Chem. It is used in pe Note: Please consider using the
[all data], Amunugama and Rodgers, 2003 Can. NIST Standard Reference Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) This site uses cookies. SpectraBase Spectrum ID=FVw062oev0d
and Informatics, X-ray Photoelectron Spectroscopy Database, version 4.1, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data), https://doi.org/10.1016/0168-1176(92)80117-J, https://doi.org/10.1016/S1387-3806(02)00945-4. gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; gas phase; Entropy change calculated or estimated; gas phase; Acid: anisole. Low conformational barriers in thioanisole and selenoanisole. uses its best efforts to deliver a high quality copy of the The origin bands lie at 36 386.4, 36 389.6, 36 557.2, and 36 560.4 cm −1 for C 6 H 5 OCH 3, C 6 H 5 OCD 3, C 6 D 5 OCH 3, and C 6 D 5 OCD 3. Paul, G.J.C. Mass Spectrom., 2003, 222, 1-3, 431, https://doi.org/10.1016/S1387-3806(02)00945-4 The Penning ionization electron spectra of anisole analogues with O, S, and Se. Soc., 1956, 3011-3016. J. Chem. . reaction search pages in place of the enumerated reaction
; Free energy of reaction at standard conditions, Enthalpy of reaction at standard conditions, Entropy of reaction at standard conditions. Data compilation copyright The PIES spectra and calculations allow characterizations of conformational potential with respect to the Cring-X bond. also available. 1-METHOXY-4-NITROBENZENE
The visible region of the spectrum comprises photon energies of 36 to 72 kcal/mole, and the near ultraviolet region, out to 200 nm, extends this energy range to 143 kcal/mole. http://spectrabase.com/spectrum/FVw062oev0d
Absolute binding energies of alkali metal cation-anisole complexes determined by threshold collision-induced dissociation and theoretical studies, on behalf of the United States of America. Brennan, D.; Ubbelohde, A.R., J. Database and to verify that the data contained therein have reaction search for this species. Ultraviolet radiation having wavelengths less than 200 nm is difficult to handle, and is seldom used … Your institution may already be a subscriber. Aldrich-465356; 4-(Trifluoromethoxy)anisole 0.98; CAS Number: 710-18-9; Linear Formula: CF3OC6H4OCH3; find related products, papers, technical documents, MSDS & more at Sigma-Aldrich.