Propylamine

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-16.7 ± 0.2kcal/molCmScott, 1971ALS
Δfgas-16.77 ± 0.13kcal/molCcrSmith and Good, 1967ALS
Δfgas-25.50kcal/molN/ALemoult, 1907Value computed using ΔfHliquid° value of -138.0 kj/mol from Lemoult, 1907 and ΔvapH° value of 31.3 kj/mol from Smith and Good, 1967.; DRB

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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

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

(C3H10N+ • 4Propylamine) + Propylamine = (C3H10N+ • 5Propylamine)

By formula: (C3H10N+ • 4C3H9N) + C3H9N = (C3H10N+ • 5C3H9N)

Quantity Value Units Method Reference Comment
Δr7.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4174.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

(C3H10N+ • 2Propylamine) + Propylamine = (C3H10N+ • 3Propylamine)

By formula: (C3H10N+ • 2C3H9N) + C3H9N = (C3H10N+ • 3C3H9N)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr17.1kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr30.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr42.3cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

(C3H10N+ • Propylamine) + Propylamine = (C3H10N+ • 2Propylamine)

By formula: (C3H10N+ • C3H9N) + C3H9N = (C3H10N+ • 2C3H9N)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr19.5kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr41.6cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

C3H8N- + Hydrogen cation = Propylamine

By formula: C3H8N- + H+ = C3H9N

Quantity Value Units Method Reference Comment
Δr398.4 ± 3.1kcal/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr391.0 ± 3.0kcal/molIMRBBrauman and Blair, 1971gas phase; B

(C3H10N+ • 3Propylamine) + Propylamine = (C3H10N+ • 4Propylamine)

By formula: (C3H10N+ • 3C3H9N) + C3H9N = (C3H10N+ • 4C3H9N)

Quantity Value Units Method Reference Comment
Δr7.7kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Potassium ion (1+) + Propylamine = (Potassium ion (1+) • Propylamine)

By formula: K+ + C3H9N = (K+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr21.8kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

C3H10N+ + Propylamine = (C3H10N+ • Propylamine)

By formula: C3H10N+ + C3H9N = (C3H10N+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr24.5kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Sodium ion (1+) + Propylamine = (Sodium ion (1+) • Propylamine)

By formula: Na+ + C3H9N = (Na+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr28.9 ± 1.4kcal/molCIDTMoision and Armentrout, 2002RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References, Notes

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)219.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity211.3kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
216.9Wang, 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
216.8Wang, 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
Δr398.4 ± 3.1kcal/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr391.0 ± 3.0kcal/molIMRBBrauman and Blair, 1971gas phase; B

Ion clustering 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C3H10N+ + Propylamine = (C3H10N+ • Propylamine)

By formula: C3H10N+ + C3H9N = (C3H10N+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr24.5kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H10N+ • Propylamine) + Propylamine = (C3H10N+ • 2Propylamine)

By formula: (C3H10N+ • C3H9N) + C3H9N = (C3H10N+ • 2C3H9N)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr19.5kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr41.6cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

(C3H10N+ • 2Propylamine) + Propylamine = (C3H10N+ • 3Propylamine)

By formula: (C3H10N+ • 2C3H9N) + C3H9N = (C3H10N+ • 3C3H9N)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr17.1kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr30.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr42.3cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

(C3H10N+ • 3Propylamine) + Propylamine = (C3H10N+ • 4Propylamine)

By formula: (C3H10N+ • 3C3H9N) + C3H9N = (C3H10N+ • 4C3H9N)

Quantity Value Units Method Reference Comment
Δr7.7kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H10N+ • 4Propylamine) + Propylamine = (C3H10N+ • 5Propylamine)

By formula: (C3H10N+ • 4C3H9N) + C3H9N = (C3H10N+ • 5C3H9N)

Quantity Value Units Method Reference Comment
Δr7.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4174.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Potassium ion (1+) + Propylamine = (Potassium ion (1+) • Propylamine)

By formula: K+ + C3H9N = (K+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr21.8kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

Sodium ion (1+) + Propylamine = (Sodium ion (1+) • Propylamine)

By formula: Na+ + C3H9N = (Na+ • C3H9N)

Quantity Value Units Method Reference Comment
Δr28.9 ± 1.4kcal/molCIDTMoision and Armentrout, 2002RCD

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Scott, 1971
Scott, D.W., 1-Aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane. Vibrational assignments, conformational analyses, and chemical thermodynamic properties, J. Chem. Thermodyn., 1971, 3, 843-852. [all data]

Smith and Good, 1967
Smith, N.K.; Good, W.D., Enthalpies of combustion and formation of propylamine, isopropylamine, and tert-butylamine, J. Chem. Eng. Data, 1967, 12, 572-574. [all data]

Lemoult, 1907
Lemoult, M.P., Recherches theoriques et experimentales sur les chaleurs de combustion et de formation des composes organiques, Ann. Chim. Phys., 1907, 12, 395-432. [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Zielinska and Wincel, 1974
Zielinska, T.J.; Wincel, H., Gas - Phase Solvation of Protonated Aliphatic Amines: Methyl, Ethyl, n - Propyl, and Iso - Propylamine, Chem. Phys. Lett., 1974, 25, 354. [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]

Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P., Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M, J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011 . [all data]

Moision and Armentrout, 2002
Moision, R.M.; Armentrout, P.B., Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions, J. Phys. Chem A, 2002, 106, 43, 10350, https://doi.org/10.1021/jp0216373 . [all data]

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., α,ω-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]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References