Silane, dimethylphenyl-

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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil429. to 430.KN/APCR Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
10.8293.Stull, 1947Based on data from 298. to 432. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
278.4 to 432.54.334181674.341-46.382Stull, 1947Coefficents calculated by NIST from author's data.

Reaction thermochemistry 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 by: John E. Bartmess

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Individual Reactions

C8H11Si- + Hydrogen cation = Silane, dimethylphenyl-

By formula: C8H11Si- + H+ = C8H12Si

Quantity Value Units Method Reference Comment
Δr378.2 ± 2.2kcal/molG+TSIrie, Kikukawa, et al., 2001gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB
Quantity Value Units Method Reference Comment
Δr370.5 ± 2.0kcal/molIMREIrie, Kikukawa, et al., 2001gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB

Gas phase ion energetics 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.92 ± 0.15EIGaidis, Briggs, et al., 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H9Si+8.72CH3EIDube and Chvalovsky, 1974LLK
C8H11Si+10.43 ± 0.04HEIGaidis, Briggs, et al., 1971LLK

De-protonation reactions

C8H11Si- + Hydrogen cation = Silane, dimethylphenyl-

By formula: C8H11Si- + H+ = C8H12Si

Quantity Value Units Method Reference Comment
Δr378.2 ± 2.2kcal/molG+TSIrie, Kikukawa, et al., 2001gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB; B
Quantity Value Units Method Reference Comment
Δr370.5 ± 2.0kcal/molIMREIrie, Kikukawa, et al., 2001gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB; B

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner Copyright (C) 1987 by the Coblentz Society
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CORNING CORP.
Source reference COBLENTZ NO. 5595
Date 1967/08/23
Name(s) dimethyl(phenyl)silane
State SOLUTION (10% CCl4 FOR 3800-1270, 2% CS2 FOR 1300-650, AND 10% CCl4 FOR 650-280)
Instrument PERKIN-ELMER 521 (GRATING)
Instrument parameters FILTERS AT 3150, 2500, 2000, 1150, 700, 410. GRATING CHANGES: 2000, 630
Path length 0.011 CM, 0.012 CM, AND 0.011 CM
Resolution 2
Boiling point 157 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1967
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19163
Instrument Spektromom 201
Boiling point 157/ 744 mm

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPolymethylsiloxane, (PMS-20000)50.946.2Ainshtein and Shulyatieva, 1972He, Chromosorb W; Column length: 2. m

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Irie, Kikukawa, et al., 2001
Irie, M.; Kikukawa, K.; Shimizu, N.; Mishima, M., Gas-phase acidities of aryldimethylsilanes, J. Chem. Soc. Perkin Trans., 2001, 2, 6, 923-928, https://doi.org/10.1039/b100488n . [all data]

Gaidis, Briggs, et al., 1971
Gaidis, J.M.; Briggs, P.R.; Shannon, T.W., Mass spectra of disilanes. Phenyl-silicon interaction and silicon-silicon bond strength, J. Phys. Chem., 1971, 75, 974. [all data]

Dube and Chvalovsky, 1974
Dube, G.; Chvalovsky, V., Electron impact fragmentation of substituted phenyldimethylsilanes, Collect. Czech. Chem. Commun., 1974, 39, 2621. [all data]

Lang (editor), 1967
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1967, 9, 183. [all data]

Ainshtein and Shulyatieva, 1972
Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 1972, 27, 816-821. [all data]


Notes

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