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Propylamine

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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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)917.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity883.9kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
907.5Wang, Chu, et al., 1999KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM
907.1Wang, Chu, et al., 1999KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.5 ± 0.1PEAue, Webb, et al., 1976LLK
8.78 ± 0.02PIWatanabe and Mottl, 1957RDSH
9.4 ± 0.3PEPeel and Willett, 1977Vertical value; LLK
9.44PEKatsumata, Iwai, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH4N+9.56C2H5EILossing, Lam, et al., 1981LLK
CH4N+9.54C2H5PIChupka, 1959RDSH
C2H6N+10.2 ± 0.3CH3EISolka and Russell, 1974LLK

De-protonation reactions

C3H8N- + Hydrogen cation = Propylamine

By formula: C3H8N- + H+ = C3H9N

Quantity Value Units Method Reference Comment
Deltar1667. ± 13.kJ/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar1636. ± 13.kJ/molIMRBBrauman and Blair, 1971gas 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.

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]

Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M., «alpha»,«omega»-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities, J. Phys. Chem. A., 1999, 103, 8700. [all data]

Aue, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T., Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines, J. Am. Chem. Soc., 1976, 98, 311. [all data]

Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R., Ionization potentials of ammonia and some amines, J. Chem. Phys., 1957, 26, 1773. [all data]

Peel and Willett, 1977
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the propyl- and allyl- substituted amines, Aust. J. Chem., 1977, 30, 2571. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Lossing, Lam, et al., 1981
Lossing, F.P.; Lam, Y.-T.; Maccoll, A., Gas phase heats of formation of alkyl immonium ions, Can. J. Chem., 1981, 59, 2228. [all data]

Chupka, 1959
Chupka, W.A., Effect of unimolecular decay kinetics on the interpretation of appearance potentials, J. Chem. Phys., 1959, 30, 191. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]

Brauman and Blair, 1971
Brauman, J.I.; Blair, L.K., Gas phase acidities of amines, J. Am. Chem. Soc., 1971, 93, 3911. [all data]


Notes

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