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-69.9 ± 0.8kJ/molCmScott, 1971ALS
Δfgas-70.17 ± 0.54kJ/molCcrSmith and Good, 1967ALS
Δfgas-106.7kJ/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

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-101.5 ± 0.4kJ/molCcrSmith and Good, 1967ALS
Δfliquid-138.kJ/molCcbLemoult, 1907ALS
Quantity Value Units Method Reference Comment
Δcliquid-2365. ± 3.kJ/molCcrSmith and Good, 1967ALS
Δcliquid-2344.kJ/molCcbLemoult, 1907ALS
Quantity Value Units Method Reference Comment
liquid227.44J/mol*KN/AFinke, Messerly, et al., 1972DH
liquid228.2J/mol*KN/AVasil'ev, Petrov, et al., 1971Extrapolation below 60 K, 26.7 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
162.51298.15Finke, Messerly, et al., 1972T = 12 to 350 K.; DH
160.298.15Konicek and Wadso, 1971DH
166.4298.15Vasil'ev, Petrov, et al., 1971T = 60 to 300 K. Details deposited VINITI, No. 2530-71, 30 Jan 1971.; DH
162.3298.15Smith and Good, 1967DH

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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)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
Δr1667. ± 13.kJ/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1636. ± 13.kJ/molIMRBBrauman and Blair, 1971gas phase; B

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.

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]

Finke, Messerly, et al., 1972
Finke, H.L.; Messerly, J.F.; Todd, S.S., Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane, J. Chem. Thermodynam., 1972, 4, 359-374. [all data]

Vasil'ev, Petrov, et al., 1971
Vasil'ev, I.A.; Petrov, V.M.; Ignat'ev, V.M.; Vvedenskii, A.A., Thermodynamic functions of a series of aliphatic amines. III. Entropy of n-propylamine, Zhur. Fiz. Khim., 1971, 45, 1316. [all data]

Konicek and Wadso, 1971
Konicek, J.; Wadso, I., Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution, Acta Chem. Scand., 1971, 25, 1541-1551. [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]

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

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