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Propylamine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
DRB - Donald R. Burgess, Jr.

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

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafliquid-24.26 ± 0.09kcal/molCcrSmith and Good, 1967ALS
Deltafliquid-33.1kcal/molCcbLemoult, 1907ALS
Quantity Value Units Method Reference Comment
Deltacliquid-565.3 ± 0.7kcal/molCcrSmith and Good, 1967ALS
Deltacliquid-560.3kcal/molCcbLemoult, 1907ALS
Quantity Value Units Method Reference Comment
liquid54.359cal/mol*KN/AFinke, Messerly, et al., 1972DH
liquid54.54cal/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 (cal/mol*K) Temperature (K) Reference Comment
38.841298.15Finke, Messerly, et al., 1972T = 12 to 350 K.; DH
38.2298.15Konicek and Wadso, 1971DH
39.77298.15Vasil'ev, Petrov, et al., 1971T = 60 to 300 K. Details deposited VINITI, No. 2530-71, 30 Jan 1971.; DH
38.79298.15Smith and Good, 1967DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil322. ± 2.KAVGN/AAverage of 19 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus190.15KN/AAnonymous, 1968TRC
Tfus190.KN/AAnonymous, 1956Uncertainty assigned by TRC = 0.6 K; TRC
Tfus190.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple188.38KN/AFinke, Messerly, et al., 1972, 2Uncertainty assigned by TRC = 0.007 K; TRC
Ttriple188.36KN/AVasil'ev, Petrov, et al., 1971Uncertainty assigned by TRC = 0.07 K; TRC
Quantity Value Units Method Reference Comment
Tc497.KN/AMajer and Svoboda, 1985 
Tc496.95KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 1.5 K; TRC
Tc496.95KN/ABerthoud, 1917Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc46.7600atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 0.99995 atm; TRC
Pc46.7600atmN/ABerthoud, 1917Uncertainty assigned by TRC = 0.4000 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap7.512kcal/molN/AMajer and Svoboda, 1985 
Deltavap7.48kcal/molN/AMajer, Svoboda, et al., 1979AC
Deltavap7.49 ± 0.05kcal/molVSmith and Good, 1967ALS
Deltavap7.48kcal/molN/ASmith and Good, 1967DRB
Deltavap6.98kcal/molCGlaser and Ruland, 1957ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.063320.4N/AMajer and Svoboda, 1985 
7.48311.A,EB,IPStephenson and Malanowski, 1987Based on data from 296. - 350. K. See also Osborn and Douslin, 1968 and Dykyj, 1970.; AC
7.19313.N/AMajer, Svoboda, et al., 1979AC
6.91328.N/AMajer, Svoboda, et al., 1979AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 328.12.650.3472497.Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
296.12 - 350.744.045651044.028-62.314Osborn and Douslin, 1968 
321.7 - 487.74.337041227.09-38.78Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.62290188.36Finke, Messerly, et al., 1972DH
2.622188.4Acree, 1991AC
2.5394188.36Vasil'ev, Petrov, et al., 1971DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
13.92188.36Finke, Messerly, et al., 1972DH
13.5188.36Vasil'ev, Petrov, et al., 1971DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
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+ bullet 4Propylamine) + Propylamine = (C3H10N+ bullet 5Propylamine)

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

Quantity Value Units Method Reference Comment
Deltar7.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar17.1kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar30.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar42.3cal/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

(C3H10N+ bullet Propylamine) + Propylamine = (C3H10N+ bullet 2Propylamine)

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

Quantity Value Units Method Reference Comment
Deltar16.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar19.5kcal/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar41.6cal/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
Deltar398.4 ± 3.1kcal/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar391.0 ± 3.0kcal/molIMRBBrauman and Blair, 1971gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar7.7kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.1cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

By formula: K+ + C3H9N = (K+ bullet C3H9N)

Quantity Value Units Method Reference Comment
Deltar21.8kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

C3H10N+ + Propylamine = (C3H10N+ bullet Propylamine)

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

Quantity Value Units Method Reference Comment
Deltar24.5kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.6cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar28.9 ± 1.4kcal/molCIDTMoision and Armentrout, 2002RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2191
NIST MS number 230164

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Anonymous, 1956
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Company, 1956. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

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

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Berthoud, 1917
Berthoud, A., Determination of Critical Temperatures and Pressures of Amines and Alkyl Chlorides, J. Chim. Phys. Phys.-Chim. Biol., 1917, 15, 3. [all data]

Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Koubek, Josef; Pick, Jirí, Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies for a group of amines, Collect. Czech. Chem. Commun., 1979, 44, 12, 3521-3528, https://doi.org/10.1135/cccc19793521 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Osborn and Douslin, 1968
Osborn, Ann G.; Douslin, Donald R., Vapor pressure relations of 13 nitrogen compounds related to petroleum, J. Chem. Eng. Data, 1968, 13, 4, 534-537, https://doi.org/10.1021/je60039a024 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References