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Silane, phenyl-


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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
36.6 ± 0.3314.Zelenina, Chusova, et al., 2006Based on data from 238. - 390. K.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference
8.4201.Zelenina, Chusova, et al., 2006

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

C6H7Si- + Hydrogen cation = Silane, phenyl-

By formula: C6H7Si- + H+ = C6H8Si

Quantity Value Units Method Reference Comment
Deltar1545. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase
Deltar1540. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale
Deltar1543. ± 13.kJ/molD-EAWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol
Deltar1551. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Between HF and acetone
Quantity Value Units Method Reference Comment
Deltar1515. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase
Deltar1510. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale
Deltar1513. ± 13.kJ/molH-TSWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol
Deltar1521. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Between HF and acetone

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
9.25PEPitt, 1973LLK
9.09PEMcLean, 1973LLK

De-protonation reactions

C6H7Si- + Hydrogen cation = Silane, phenyl-

By formula: C6H7Si- + H+ = C6H8Si

Quantity Value Units Method Reference Comment
Deltar1545. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar1540. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale; B
Deltar1543. ± 13.kJ/molD-EAWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol; B
Deltar1551. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Between HF and acetone; B
Quantity Value Units Method Reference Comment
Deltar1515. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar1510. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale; B
Deltar1513. ± 13.kJ/molH-TSWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol; B
Deltar1521. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Between HF and acetone; 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. 5593
Date 1966/03/09
Name(s) phenylsilane
State SOLUTION (12% CCl4 FOR 3800-1300, 2% CS2 FOR 1300-600, AND 12% CCl4 FOR 600-250)
Instrument PERKIN-ELMER 521 (GRATING)
Instrument parameters FILTERS AT 3150, 2500, 2000, 1150, 700, 410. GRATING CHANGES: 2000, 630
Path length 0.012 CM, 0.011 CM, AND 0.010 CM
Resolution 2
Boiling point 120 C

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


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 163315

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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. 19124
Instrument Spectromom 201
Boiling point 115/ 760 mm

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, Notes

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

Zelenina, Chusova, et al., 2006
Zelenina, L.N.; Chusova, T.P.; Stenin, Yu.G.; Bakovets, V.V., The thermodynamic properties of talyl-and phenylsilanes, Russ. J. Phys. Chem., 2006, 80, 2, 139-142, https://doi.org/10.1134/S0036024406020014 . [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Damrauer, Kass, et al., 1988
Damrauer, R.; Kass, S.R.; DePuy, C.H., Gas-Phase Acidities of Methylsilanes: C-H versus Si-H, Organomet., 1988, 7, 3, 637, https://doi.org/10.1021/om00093a011 . [all data]

Pitt, 1973
Pitt, C.G., Hyperconjugation and its role in group IV chemistry, J. Organomet. Chem., 1973, 61, 49. [all data]

McLean, 1973
McLean, R.A.N., The bonding of a silicon atom with a phenyl ring: The photoelectron spectrum of phenylsilane, Can. J. Chem., 1973, 51, 2089. [all data]

Lang (editor), 1967
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1967, 8, 53. [all data]


Notes

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