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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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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
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 |
| 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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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 |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Polymethylsiloxane, (PMS-20000) | 50. | 946.2 | Ainshtein and Shulyatieva, 1972 | He, Chromosorb W; Column length: 2. m |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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