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2-Propen-1-ol

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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:
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 C3H6O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.67 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.70EIHolmes, Burgers, et al., 1982LBLHLM
9.63PEKatrib and Rabalais, 1973LLK
9.67 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
10.22PEMines and Thompson, 1973Vertical value; LLK

De-protonation reactions

C3H5O- + Hydrogen cation = 2-Propen-1-ol

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Deltar1563. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; B
Deltar1400. ± 50.kJ/molAcidKuhn, Fenzlaff, et al., 1988gas phase; From CH2=CHCH2OH, AP 0.9 eV; est. thermo = 2.5 eV; B
Deltar1409. ± 8.4kJ/molD-EABouby, Compton, et al., 1968gas phase; EA probably 2 eV less; B
Quantity Value Units Method Reference Comment
Deltar1534. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; B
Deltar1380. ± 8.8kJ/molH-TSBouby, Compton, et al., 1968gas phase; EA probably 2 eV less; 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, Burgers, et al., 1982
Holmes, J.L.; Burgers, P.C.; Mollah, Y.A., Alkane elimination from ionized alkanols, Org. Mass Spectrom., 1982, 17, 127. [all data]

Katrib and Rabalais, 1973
Katrib, A.; Rabalais, J.W., Electronic interaction between the vinyl group and its substituents, J. Phys. Chem., 1973, 77, 2358. [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]

Mines and Thompson, 1973
Mines, G.W.; Thompson, H.W., Photoelectron spectra of vinyl and allyl halides, Spectrochim. Acta Part A, 1973, 29, 1377. [all data]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Kuhn, Fenzlaff, et al., 1988
Kuhn, A.; Fenzlaff, H.-P.; Illenberger, E., Formation and Dissociation of Negative Ion Resonances in Methanol and Allyl Alcohol, J. Chem. Phys., 1988, 88, 12, 7453, https://doi.org/10.1063/1.454309 . [all data]

Bouby, Compton, et al., 1968
Bouby, L.; Compton, R.N.; Souleyrol, A., Formation d'ions negatifs dans l'alcool allylique et l'acroleine., Comptes Rendues. Acad. Sc. Paris, 1968, 266, 1250. [all data]


Notes

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