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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Phase change data
Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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 (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.6 ± 0.3 | 314. | Zelenina, Chusova, et al., 2006 | Based on data from 238. to 390. K. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference |
---|---|---|
8.4 | 201. | Zelenina, Chusova, et al., 2006 |
Reaction thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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° | 1545. ± 8.8 | kJ/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
ΔrH° | 1540. ± 8.8 | kJ/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° | 1543. ± 13. | kJ/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
ΔrH° | 1551. ± 17. | kJ/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1515. ± 8.4 | kJ/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
ΔrG° | 1510. ± 8.4 | kJ/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° | 1513. ± 13. | kJ/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
ΔrG° | 1521. ± 17. | kJ/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
IR Spectrum
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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
View scan of original (hardcopy) spectrum.
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
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)
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.