Silane, dimethylphenyl-
- Formula: C8H12Si
- Molecular weight: 136.2664
- IUPAC Standard InChI: InChI=1S/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- IUPAC Standard InChIKey: ZISUALSZTAEPJH-UHFFFAOYSA-N
- CAS Registry Number: 766-77-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Dimethylphenyl silane; Phenyldimethylsilane
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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
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 |
|---|---|---|---|---|---|
| Tboil | 429. to 430. | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.8 | 293. | Stull, 1947 | Based 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 432.5 | 4.33418 | 1674.341 | -46.382 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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 ± 0.15 | EI | Gaidis, Briggs, et al., 1971 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H9Si+ | 8.72 | CH3 | EI | Dube and Chvalovsky, 1974 | LLK |
| C8H11Si+ | 10.43 ± 0.04 | H | EI | Gaidis, Briggs, et al., 1971 | LLK |
De-protonation reactions
C8H11Si- + =
By formula: C8H11Si- + H+ = C8H12Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 378.2 ± 2.2 | kcal/mol | G+TS | Irie, Kikukawa, et al., 2001 | gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 370.5 ± 2.0 | kcal/mol | IMRE | Irie, Kikukawa, et al., 2001 | gas phase; The anion may be ArSiH(Me)CH2-, based on LFER size and ab initio calculations - JEB; B |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
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]
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]
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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point 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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