Cyclopropane

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Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.013 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 294. K.
0.0111700.LN/A 

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C3H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.86 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)750.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity722.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.90PITraeger, 1984LBLHLM
9.86EQLias and Buckley, 1984LBLHLM
10.60PEKimura, Katsumata, et al., 1981LLK
9.8 ± 0.1PEBieri, Burger, et al., 1977LLK
10.3 ± 0.1EIRothgery, Holt, et al., 1975LLK
9.91 ± 0.03PIKrassig, Reinke, et al., 1974LLK
≤9.93EILossing, 1972LLK
≤9.8PEBasch, Robin, et al., 1969RDSH
10.1CICermak, 1968RDSH
10.06 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
10.54PEPlemenkov, Villem, et al., 1981Vertical value; LLK
10.6 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2+19.3C2H4EIHaney and Franklin, 1968RDSH
C2H2+12.71 ± 0.06CH4PIKrassig, Reinke, et al., 1974LLK
C2H2+13.1CH4EIHaney and Franklin, 1968RDSH
C2H3+12.64 ± 0.05CH3PIKrassig, Reinke, et al., 1974LLK
C2H3+13.4CH3EIHaney and Franklin, 1968RDSH
C2H3+13.3 ± 0.2CH3EIHarrison and Tait, 1962RDSH
C3H+19.7 ± 0.52H2+HEIHarrison and Tait, 1962RDSH
C3H3+12.1 ± 0.1H2+H(-)PIKrassig, Reinke, et al., 1974LLK
C3H3+12.9 ± 0.1H2+HPIKrassig, Reinke, et al., 1974LLK
C3H3+13.7 ± 0.1H2+HEIHarrison and Tait, 1962RDSH
C3H4+11.64 ± 0.15H2PIKrassig, Reinke, et al., 1974LLK
C3H4+11.6 ± 0.1H2EIHarrison and Tait, 1962RDSH
C3H5+11.43HPITraeger, 1984LBLHLM
C3H5+11.47HPIButtrill, Williamson, et al., 1975LLK
C3H5+10.74 ± 0.09H(-)PIKrassig, Reinke, et al., 1974LLK
C3H5+11.44 ± 0.05HPIKrassig, Reinke, et al., 1974LLK
C3H5+11.49HEILossing, 1972LLK

De-protonation reactions

C3H5- + Hydrogen cation = Cyclopropane

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr1716. ± 10.kJ/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr1676. ± 10.kJ/molAVGN/AAverage of 3 out of 6 values; Individual data points

References

Go To: Top, Henry's Law 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.

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]

Traeger, 1984
Traeger, J.C., A study of the allyl cation thermochemistry by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]

Lias and Buckley, 1984
Lias, S.G.; Buckley, T.J., Structures and reactions of C3H6+ ions generated in cyclopropane, Int. J. Mass Spectrom. Ion Processes, 1984, 56, 123. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Rothgery, Holt, et al., 1975
Rothgery, E.F.; Holt, J.; McGee, H.A., Jr., Cryochemical synthesis and molecular energetics of cyclopropanone and some related compounds, J. Am. Chem. Soc., 1975, 97, 4971. [all data]

Krassig, Reinke, et al., 1974
Krassig, R.; Reinke, D.; Baumgartel, H., Photo-reaktionen kleiner organischer molekule II. Die photoionenspektren der Isomeren propylen-cyclopropan und acetaldehyd-athylenoxyd, Ber. Bunsen-Ges. Phys. Chem., 1974, 78, 425. [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]

Basch, Robin, et al., 1969
Basch, H.; Robin, M.B.; Kuebler, N.A.; Baker, C.; Turner, D.W., Optical and photoelectron spectra of small rings. III. The saturated three-membered rings, J. Chem. Phys., 1969, 51, 52. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules, Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Plemenkov, Villem, et al., 1981
Plemenkov, V.V.; Villem, Y.Y.; Villem, N.V.; Bolesov, I.G.; Surmina, L.S.; Yakushkina, N.I.; Formanovskii, A.A., Photoelectron spectra of polyalkylcyclopropenes and polyalkylcyclopropanes, Zh. Obshch. Khim., 1981, 51, 2076. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [all data]

Harrison and Tait, 1962
Harrison, A.G.; Tait, J.M.S., Concurrent ion-molecule reactions leading to the same product ion, Can. J. Chem., 1962, 40, 1986. [all data]

Buttrill, Williamson, et al., 1975
Buttrill, S.E., Jr.; Williamson, A.D.; LeBreton, P., Photoionization measurement of the heat of formation of allyl cations, J. Chem. Phys., 1975, 62, 1586. [all data]


Notes

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