Silane, phenyl-


Phase change data

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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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
8.75 ± 0.07314.Zelenina, Chusova, et al., 2006Based on data from 238. to 390. K.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference
2.0201.Zelenina, Chusova, et al., 2006

Reaction thermochemistry data

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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: 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- + Hydrogen cation = Silane, phenyl-

By formula: C6H7Si- + H+ = C6H8Si

Quantity Value Units Method Reference Comment
Δr369.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase
Δr368.1 ± 2.1kcal/molG+TSWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale
Δr368.7 ± 3.0kcal/molD-EAWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol
Δr370.7 ± 4.1kcal/molG+TSDamrauer, Kass, et al., 1988gas phase; Between HF and acetone
Quantity Value Units Method Reference Comment
Δr362.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase
Δr361.0 ± 2.0kcal/molIMREWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale
Δr361.5 ± 3.1kcal/molH-TSWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol
Δr363.6 ± 4.0kcal/molIMRBDamrauer, Kass, et al., 1988gas phase; Between HF and acetone

Gas phase ion energetics data

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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 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
9.25PEPitt, 1973LLK
9.09PEMcLean, 1973LLK

De-protonation reactions

C6H7Si- + Hydrogen cation = Silane, phenyl-

By formula: C6H7Si- + H+ = C6H8Si

Quantity Value Units Method Reference Comment
Δr369.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr368.1 ± 2.1kcal/molG+TSWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale; B
Δr368.7 ± 3.0kcal/molD-EAWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol; B
Δr370.7 ± 4.1kcal/molG+TSDamrauer, Kass, et al., 1988gas phase; Between HF and acetone; B
Quantity Value Units Method Reference Comment
Δr362.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr361.0 ± 2.0kcal/molIMREWetzel, Salomon, et al., 1989gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale; B
Δr361.5 ± 3.1kcal/molH-TSWetzel, Salomon, et al., 1989gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol; B
Δr363.6 ± 4.0kcal/molIMRBDamrauer, Kass, et al., 1988gas phase; Between HF and acetone; B

References

Go To: Top, Phase change data, Reaction thermochemistry 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.

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]

Pitt, 1973
Pitt, C.G., Hyperconjugation and its role in group IV chemistry, J. Organomet. Chem., 1973, 61, 49. [all data]

McLean, 1973
McLean, R.A.N., The bonding of a silicon atom with a phenyl ring: The photoelectron spectrum of phenylsilane, Can. J. Chem., 1973, 51, 2089. [all data]


Notes

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