Silane, phenyl-
- Formula: C6H8Si
- Molecular weight: 108.2132
- IUPAC Standard InChIKey: PARWUHTVGZSQPD-UHFFFAOYSA-N
- CAS Registry Number: 694-53-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, silyl-; Phenylsilane; Phenylsilane, silyl-; Silylbenzene; Fenylsilan
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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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.75 ± 0.07 | 314. | Zelenina, Chusova, et al., 2006 | Based on data from 238. to 390. K. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference |
---|---|---|
2.0 | 201. | 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C6H7Si- + =
By formula: C6H7Si- + H+ = C6H8Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 369.2 ± 2.1 | kcal/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
ΔrH° | 368.1 ± 2.1 | kcal/mol | G+TS | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
ΔrH° | 368.7 ± 3.0 | kcal/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
ΔrH° | 370.7 ± 4.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 362.1 ± 2.0 | kcal/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
ΔrG° | 361.0 ± 2.0 | kcal/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
ΔrG° | 361.5 ± 3.1 | kcal/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
ΔrG° | 363.6 ± 4.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
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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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 |
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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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 |
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.
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, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]
Lang (editor), 1967
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1967, 8, 53. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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