Silane, trimethyl-2-propenyl-
- Formula: C6H14Si
- Molecular weight: 114.2609
- IUPAC Standard InChI: InChI=1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
- IUPAC Standard InChIKey: HYWCXWRMUZYRPH-UHFFFAOYSA-N
- CAS Registry Number: 762-72-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Silane, allyltrimethyl-; Allyltrimethylsilane; Trimethylallylsilane; 3-(Trimethylsilyl)-1-propene; 3-(Trimethylsilyl)propene; CA0570; Trimethyl-2-propenylsilane
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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
C6H13Si- + =
By formula: C6H13Si- + H+ = C6H14Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1592.3 ± 3.8 | kJ/mol | G+TS | DePuy, Bierbaum, et al., 1980 | gas phase; More acidic than MeOH. Computations indicate dGacid ca. 367 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <1564.8 | kJ/mol | IMRB | DePuy, Bierbaum, et al., 1980 | gas phase; More acidic than MeOH. Computations indicate dGacid ca. 367 kcal/mol |
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6H14Si+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.85 ± 0.04 | EI | Bock and Seidl, 1968 | RDSH |
| 9.0 | PE | Weidner and Schweig, 1972 | Vertical value; LLK |
| 9.0 | PE | Weidner and Schweig, 1972, 2 | Vertical value; LLK |
De-protonation reactions
C6H13Si- + =
By formula: C6H13Si- + H+ = C6H14Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1592.3 ± 3.8 | kJ/mol | G+TS | DePuy, Bierbaum, et al., 1980 | gas phase; More acidic than MeOH. Computations indicate dGacid ca. 367 kcal/mol; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <1564.8 | kJ/mol | IMRB | DePuy, Bierbaum, et al., 1980 | gas phase; More acidic than MeOH. Computations indicate dGacid ca. 367 kcal/mol; 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 650. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
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.
DePuy, Bierbaum, et al., 1980
DePuy, C.H.; Bierbaum, V.M.; Flippin, L.A.; Brabowski, J.J.; King, G.K.; Schmidt, R.J.; Sullivan, S.A.,
Gas phase reactions of anions with substituted silanes,
J. Am. Chem. Soc., 1980, 102, 5012. [all data]
Bock and Seidl, 1968
Bock, H.; Seidl, H.,
d-Orbitaleffekte in siliziumsubstituierten π-Elektronensystemen. VI. Spektroskopische Untersuchungen an Alkyl- und Silylathylenen,
J. Organometal. Chem., 1968, 13, 87. [all data]
Weidner and Schweig, 1972
Weidner, U.; Schweig, A.,
Theory and application of photoelectron spectroscopy. V. The nature of bonding in vinyl- and allylsilanes: the effects of σ-π (hyperconjugation) pπ-dπ conjugation in these compounds,
J. Organomet. Chem., 1972, 39, 261. [all data]
Weidner and Schweig, 1972, 2
Weidner, U.; Schweig, A.,
Nature of the silicon β-effect in allyltrimethylsilane,
Angew. Chem. Int. Ed. Engl., 1972, 11, 146. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
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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