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Bicyclo[1.1.1]pentane


Gas phase 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.119100.Wiberg K.B., 1975 
11.81200.
17.48273.15
19.68298.15
19.85300.
28.561400.
35.949500.

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: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil309.KN/ABuckingham and Donaghy, 1982 

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

C5H7- + Hydrogen cation = Bicyclo[1.1.1]pentane

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Deltar411.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; Reed, Kass, et al., 2002 claim this is the 1,4-pentadien-2-ide anion
Quantity Value Units Method Reference Comment
Deltar402.6 ± 3.6kcal/molH-TSGraul and Squires, 1990gas phase; Reed, Kass, et al., 2002 claim this is the 1,4-pentadien-2-ide anion

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wiberg K.B., 1975
Wiberg K.B., Vibrational spectrum of bicyclo[1.1.1]pentane, Spectrochim. Acta, 1975, A31, 57-73. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Reed, Kass, et al., 2002
Reed, D.R.; Kass, S.R.; Mondanaro, K.R.; Dailey, W.P., Formation of a 1-bicyclo[1.1.1]pentyl anion and an experimental determination of the acidity and C-H bond dissociation energy of 3-tert-butylbicyclo[1.1.1]pentane, J. Am. Chem. Soc., 2002, 124, 11, 2790-2795, https://doi.org/10.1021/ja0121890 . [all data]


Notes

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