2-Silaisobutene
- Formula: C3H8Si
- Molecular weight: 72.1811
- IUPAC Standard InChIKey: ZIOQFHFYVWYPJP-UHFFFAOYSA-N
- CAS Registry Number: 4112-23-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
C3H7Si- + =
By formula: C3H7Si- + H+ = C3H8Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 385.6 ± 5.1 | kcal/mol | G+TS | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
(CAS Reg. No. 54711-92-1 • 4294967295) + = CAS Reg. No. 54711-92-1
By formula: (CAS Reg. No. 54711-92-1 • 4294967295C3H8Si) + C3H8Si = CAS Reg. No. 54711-92-1
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.2 ± 6.1 | kcal/mol | Ther | Damrauer, Kass, et al., 1988 | gas phase; Between furan and methanol.; B |
By formula: F- + C3H8Si = (F- • C3H8Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 2. | kcal/mol | ICR | Allison and McMahon, 1990 | gas phase; bracketing; M |
By formula: Fe+ + C3H8Si = (Fe+ • C3H8Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64. ± 9. | kcal/mol | ICR | Jacobson and Bakhtiar, 1993 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C3H8Si+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 226.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 220.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.71 ± 0.03 | PE | Dyke, Josland, et al., 1982 | LBLHLM |
8.0 | PE | Koenig and McKenna, 1981 | LLK |
7.5 ± 0.3 | DER | Gusel'nikov and Nametkin, 1979 | LLK |
7.98 ± 0.01 | PE | Dyke, Josland, et al., 1982 | Vertical value; LBLHLM |
De-protonation reactions
C3H7Si- + =
By formula: C3H7Si- + H+ = C3H8Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 385.6 ± 5.1 | kcal/mol | G+TS | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
Ion clustering data
Go To: Top, Reaction thermochemistry data, 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: F- + C3H8Si = (F- • C3H8Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 2. | kcal/mol | ICR | Allison and McMahon, 1990 | gas phase; bracketing |
By formula: Fe+ + C3H8Si = (Fe+ • C3H8Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64. ± 9. | kcal/mol | ICR | Jacobson and Bakhtiar, 1993 | gas phase |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Damrauer, DePuy, et al., 1986
Damrauer, R.; DePuy, C.H.; Davidson, I.M.T.; Hughes, K.J.,
Gas phase ion chemistry of dimethylsilene,
Organometallics, 1986, 5, 2050. [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]
Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B.,
How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths,
J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002
. [all data]
Jacobson and Bakhtiar, 1993
Jacobson, D.B.; Bakhtiar, R.,
Generation, Characterization and Properties of Iron-Silylene and Iron-Sylene Cationic Complexes in the Gas Phase,
J. Am. Chem. Soc., 1993, 115, 23, 10830, https://doi.org/10.1021/ja00076a046
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Dyke, Josland, et al., 1982
Dyke, J.M.; Josland, G.D.; Lewis, R.A.; Morris, A.,
Improved first ionization potential of the dimethylsilaethylene molecule obtained with high-temperature photoelectron spectroscopy,
J. Phys. Chem., 1982, 86, 2913. [all data]
Koenig and McKenna, 1981
Koenig, T.; McKenna, W.,
First ionization band of 1,1-dimethylsilaethylene by transient photoelectron spectroscopy,
J. Am. Chem. Soc., 1981, 103, 1212. [all data]
Gusel'nikov and Nametkin, 1979
Gusel'nikov, L.E.; Nametkin, N.S.,
1,1-dimethyl-1-silaethylene. Heat of formation, ionization potential and the energy of the silicon-carbon π-bond,
J. Organomet. Chem., 1979, 169, 155. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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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