Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Methylcyclopropane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, 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
LL - Sharon G. Lias and Joel F. Liebman
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 C4H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.30 ± 0.05EIHolmes and Lossing, 1991LL
9.46EILossing, 1972LLK
9.9 ± 0.2EIMeisels and Giessner, 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4+12.5 ± 0.2?EIMeisels, Park, et al., 1970RDSH
C3H5+11.02CH3EILossing, 1972LLK
C3H5+10.9CH3EIMeisels and Giessner, 1971LLK
C4H7+11.02HEILossing, 1972LLK

De-protonation reactions

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Deltar1712. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar1728. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1680. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Deltar1718. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar1682. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Deltar1720. ± 21.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1687. ± 21.kJ/molH-TSGraul and Squires, 1990gas phase; B

References

Go To: Top, 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.

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Meisels and Giessner, 1971
Meisels, G.G.; Giessner, B.G., Threshold behavior and the determination of appearance potentials from second differential ionization efficiencies, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 489. [all data]

Meisels, Park, et al., 1970
Meisels, G.G.; Park, J.Y.; Giessner, B.G., Ionization and dissociation of C4H8 isomers, J. Am. Chem. Soc., 1970, 92, 254. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [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]


Notes

Go To: Top, Gas phase ion energetics data, References