Propylamine

• Formula: C₃H₉N
• Molecular weight: 59.1103
• IUPAC Standard InChI: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 Copy

  
• IUPAC Standard InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N Copy
• CAS Registry Number: 107-10-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1-Propanamine; n-Propylamine; Mono-n-propylamine; Monopropylamine; Propanamine; 1-Aminopropane; 1-Propylamine; n-C3H7NH2; Rcra waste number U194; UN 1277; NSC 7490
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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.

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

Constant pressure heat capacity of liquid

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, 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

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

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⁺ • 4) +  = (C₃H₁₀N⁺ • 5)

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

Free energy of reaction

(C₃H₁₀N⁺ • 2) +  = (C₃H₁₀N⁺ • 3)

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

(C₃H₁₀N⁺ • ) +  = (C₃H₁₀N⁺ • 2)

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

C₃H₈N^- +  =

By formula: C₃H₈N^- + H⁺ = C₃H₉N

(C₃H₁₀N⁺ • 3) +  = (C₃H₁₀N⁺ • 4)

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

 +  = ( • )

By formula: K⁺ + C₃H₉N = (K⁺ • C₃H₉N)

C₃H₁₀N⁺ +  = (C₃H₁₀N⁺ • )

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

 +  = ( • )

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

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₃H₈N^- +  =

By formula: C₃H₈N^- + H⁺ = C₃H₉N

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⁺ +  = (C₃H₁₀N⁺ • )

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

(C₃H₁₀N⁺ • ) +  = (C₃H₁₀N⁺ • 2)

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

(C₃H₁₀N⁺ • 2) +  = (C₃H₁₀N⁺ • 3)

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

(C₃H₁₀N⁺ • 3) +  = (C₃H₁₀N⁺ • 4)

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

(C₃H₁₀N⁺ • 4) +  = (C₃H₁₀N⁺ • 5)

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

Free energy of reaction

 +  = ( • )

By formula: K⁺ + C₃H₉N = (K⁺ • C₃H₉N)

 +  = ( • )

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

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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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Additional Data

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, custom temperature program

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References

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

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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]

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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]

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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]

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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]

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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]

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

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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]

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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]

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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]

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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]

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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]

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

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

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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]

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Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  Pc	Critical pressure
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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