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2-Propanamine

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-83.7 ± 0.8kJ/molCmScott, 1971 
Deltafgas-83.76 ± 0.79kJ/molCcrSmith and Good, 1967 

Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-112.3 ± 0.67kJ/molCcrSmith and Good, 1967ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2354.5 ± 0.50kJ/molCcrSmith and Good, 1967ALS
Quantity Value Units Method Reference Comment
liquid218.32J/mol*KN/AFinke, Messerly, et al., 1972DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
163.85298.15Finke, Messerly, et al., 1972T = 12 to 350 K.; DH
164.298.15Konicek and Wadso, 1971DH
165.3298.15Smith and Good, 1967DH
164.0313.Hough, Mason, et al., 1950T = 313 to 343 K.; DH

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tboil306. ± 2.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus177.95KN/AAnonymous, 1968TRC
Tfus171.95KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple178.01KN/AFinke, Messerly, et al., 1972, 2Uncertainty assigned by TRC = 0.007 K; TRC
Quantity Value Units Method Reference Comment
Tc471.8KN/AMajer and Svoboda, 1985 
Tc471.9KN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc45.40barN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity Value Units Method Reference Comment
rhoc4.53mol/lN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.00009 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap28.71kJ/molN/AMajer and Svoboda, 1985 
Deltavap28.4kJ/molN/AMajer, Svoboda, et al., 1979AC
Deltavap28.5 ± 0.2kJ/molVSmith and Good, 1967ALS
Deltavap28.5kJ/molN/ASmith and Good, 1967DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
27.83304.9N/AMajer and Svoboda, 1985 
29.7292.A,EB,IPStephenson and Malanowski, 1987Based on data from 277. - 334. K. See also Osborn and Douslin, 1968 and Dykyj, 1970.; AC
27.2313.N/AMajer, Svoboda, et al., 1979AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 313.49.790.345471.8Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference
277.07 - 334.134.01507985.65-59.079Osborn and Douslin, 1968

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
7.3245177.99Finke, Messerly, et al., 1972DH
7.33178.Acree, 1991AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
41.15177.99Finke, Messerly, et al., 1972DH

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

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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

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

(C3H210N+ bullet 22-Propanamine) + 2-Propanamine = (C3H210N+ bullet 32-Propanamine)

By formula: (C3H210N+ bullet 2C3H9N) + C3H9N = (C3H210N+ bullet 3C3H9N)

Quantity Value Units Method Reference Comment
Deltar67.8kJ/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar164.J/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

(C3H210N+ bullet 2-Propanamine) + 2-Propanamine = (C3H210N+ bullet 22-Propanamine)

By formula: (C3H210N+ bullet C3H9N) + C3H9N = (C3H210N+ bullet 2C3H9N)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar178.J/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable; M

C3H8N- + Hydrogen cation = 2-Propanamine

By formula: C3H8N- + H+ = C3H9N

Quantity Value Units Method Reference Comment
Deltar1662. ± 13.kJ/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar1631. ± 13.kJ/molIMRBBrauman and Blair, 1971gas phase; B

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
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)923.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity889.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.6 ± 0.1PEAue, Webb, et al., 1976LLK
8.86PEAl-Joboury and Turner, 1964RDSH
8.72 ± 0.03PIWatanabe and Mottl, 1957RDSH
9.31PEKatsumata, Iwai, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H6N+9.12CH3EILossing, Lam, et al., 1981LLK
C2H6N+8.86 ± 0.05CH3EISolka and Russell, 1974LLK
C3H8N+9.20HEILossing, Lam, et al., 1981LLK

De-protonation reactions

C3H8N- + Hydrogen cation = 2-Propanamine

By formula: C3H8N- + H+ = C3H9N

Quantity Value Units Method Reference Comment
Deltar1662. ± 13.kJ/molG+TSBrauman and Blair, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar1631. ± 13.kJ/molIMRBBrauman and Blair, 1971gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

(C3H210N+ bullet 2-Propanamine) + 2-Propanamine = (C3H210N+ bullet 22-Propanamine)

By formula: (C3H210N+ bullet C3H9N) + C3H9N = (C3H210N+ bullet 2C3H9N)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar178.J/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable

(C3H210N+ bullet 22-Propanamine) + 2-Propanamine = (C3H210N+ bullet 32-Propanamine)

By formula: (C3H210N+ bullet 2C3H9N) + C3H9N = (C3H210N+ bullet 3C3H9N)

Quantity Value Units Method Reference Comment
Deltar67.8kJ/molHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar164.J/mol*KHPMSZielinska and Wincel, 1974gas phase; Entropy change is questionable

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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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 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 NIST Mass Spectrometry Data Center
NIST MS number 341956

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-101130.469.Osmialowski, Halkiewicz, et al., 1985Ar, Chromosorb W HP; Column length: 1. m
PackedSE-30180.468.Oszczapowicz, Osek, et al., 1984N2, Chromosorb W AW; Column length: 3. m
PackedApiezon L100.477.Zhuravleva, Kapustin, et al., 1976N2 or He, Chromosorb G, AW; Column length: 2.7 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000120.743.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.740.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.725.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.710.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.740.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101130.469.Qi, Yang, et al., 2000 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101465.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes465.Zenkevich and Chupalov, 1996Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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]

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]

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]

Hough, Mason, et al., 1950
Hough, E.W.; Mason, D.M.; Sage, B.H., Heat capacities of several organic liquids, J. Am. Chem. Soc., 1950, 72, 5775-5777. [all data]

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

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [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]

Kobe and Mathews, 1970
Kobe, K.A.; Mathews, J.F., Critical Properties and Vapor Pressures of Some Organic Nitrogen and Oxygen Compounds, J. Chem. Eng. Data, 1970, 15, 182. [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]

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]

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]

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]

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]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [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]

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]

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]

Osmialowski, Halkiewicz, et al., 1985
Osmialowski, K.; Halkiewicz, J.; Radecki, A.; Kaliszan, R., Quantum chemical parameters in correlation analysis of gas-liquid chromatographic retention indices of amines, J. Chromatogr., 1985, 346, 53-60, https://doi.org/10.1016/S0021-9673(00)90493-X . [all data]

Oszczapowicz, Osek, et al., 1984
Oszczapowicz, J.; Osek, J.; Dolecka, E., Retention indices of dimethylformamidines, dimethylacetamidines and tetramethylguanidines on a non-polar column, J. Chromatogr., 1984, 315, 95-100, https://doi.org/10.1016/S0021-9673(01)90727-7 . [all data]

Zhuravleva, Kapustin, et al., 1976
Zhuravleva, I.L.; Kapustin, Yu.P.; Golovnya, P.B., Retention indices of some isoaliphatic and heterocyclic nitrogenous bases, Zh. Anal. Khim., 1976, 31, 1378-1380. [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Qi, Yang, et al., 2000
Qi, Y.; Yang, J.; Xu, L., correlation analysis of the structures and gas liquid chromatographic retention indices of amines, Chin. J. Anal. Chem., 2000, 28, 2, 223-227. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References