Ammonia

• Formula: H₃N
• Molecular weight: 17.0305
• IUPAC Standard InChI: InChI=1S/H3N/h1H3 Copy

  
• IUPAC Standard InChIKey: QGZKDVFQNNGYKY-UHFFFAOYSA-N Copy
• CAS Registry Number: 7664-41-7
• 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.
• Isotopologues:
  • Ammonia-d3
• Other names: Ammonia gas; Nitro-Sil; Spirit of Hartshorn; NH3; Ammonia, anhydrous; Anhydrous ammonia; Aromatic Ammonia, Vaporole
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data (reactions 1 to 50)
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 146
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes

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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, 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.

Reactions 1 to 50

( • 3) +  = ( • 4)

By formula: (H₄N⁺ • 3H₃N) + H₃N = (H₄N⁺ • 4H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 2) +  = ( • 3)

By formula: (H₄N⁺ • 2H₃N) + H₃N = (H₄N⁺ • 3H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (H₄N⁺ • H₃N) + H₃N = (H₄N⁺ • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: H₄N⁺ + H₃N = (H₄N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: Cl^- + H₃N = (Cl^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( • 4) +  = ( • 5)

By formula: (H₄N⁺ • 4H₃N) + H₃N = (H₄N⁺ • 5H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: Li⁺ + H₃N = (Li⁺ • H₃N)

( • ) +  = ( • 2)

By formula: (Na⁺ • H₃N) + H₃N = (Na⁺ • 2H₃N)

H₂N^- +  =

By formula: H₂N^- + H⁺ = H₃N

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + H₃N = (C₄H₉⁺ • H₃N)

 +  = ( • )

By formula: Na⁺ + H₃N = (Na⁺ • H₃N)

Free energy of reaction

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + H₃N = (C₃H₉Sn⁺ • H₃N)

Free energy of reaction

( • 3 • ) +  = ( • 4 • )

By formula: (H₄N⁺ • 3CHN • H₃N) + CHN = (H₄N⁺ • 4CHN • H₃N)

Free energy of reaction

 +  = ( • )

By formula: I^- + H₃N = (I^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2CHN) + H₃N = (H₄N⁺ • 2H₃N • 2CHN)

Free energy of reaction

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • CHN • 2H₃N) + CHN = (H₄N⁺ • 2CHN • 2H₃N)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (H₄N⁺ • CHN) + H₃N = (H₄N⁺ • H₃N • CHN)

Free energy of reaction

 +  = ( • )

By formula: Br^- + H₃N = (Br^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( • 5) +  = ( • 6)

By formula: (H₄N⁺ • 5H₃N) + H₃N = (H₄N⁺ • 6H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: K⁺ + H₃N = (K⁺ • H₃N)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₃N) + CHN = (H₄N⁺ • CHN • 2H₃N)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2H₂O) + H₃N = (H₄N⁺ • 2H₃N • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₂O • 2H₃N) + H₂O = (H₄N⁺ • 2H₂O • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O₃⁺ • ) +  = (C₆H₁₅O₃⁺ •  • )

By formula: (C₆H₁₅O₃⁺ • H₃N) + C₆H₁₄O₃ = (C₆H₁₅O₃⁺ • C₆H₁₄O₃ • H₃N)

Bond type: Hydrogen bonds between protonated and neutral organics

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₃N • H₂O) + H₃N = (H₄N⁺ • 3H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • H₃N) + H₂O = (H₄N⁺ • 3H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₃N • H₂O) + H₃N = (H₄N⁺ • 2H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • H₃N) + H₂O = (H₄N⁺ • 2H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₃N) + H₂O = (H₄N⁺ • H₂O • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₂O) + H₃N = (H₄N⁺ • H₃N • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

By formula: (H₄N⁺ • 3H₃N) + H₂O = (H₄N⁺ • H₂O • 3H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

By formula: (H₄N⁺ • 3H₂O) + H₃N = (H₄N⁺ • H₃N • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • H₃N) + H₂O = (H₄N⁺ • H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • H₂O) + H₃N = (H₄N⁺ • H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • C₄H₁₀O₂) + H₃N = (H₄N⁺ • H₃N • C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: H^- + H₃N = (H^- • H₃N)

( • 2) +  = ( • 3)

By formula: (Cu⁺ • 2H₃N) + H₃N = (Cu⁺ • 3H₃N)

( • 3) +  = ( • 4)

By formula: (Cu⁺ • 3H₃N) + H₃N = (Cu⁺ • 4H₃N)

( • 2) +  = ( • 3)

By formula: (Pb⁺ • 2H₃N) + H₃N = (Pb⁺ • 3H₃N)

( • 3) +  = ( • 4)

By formula: (Pb⁺ • 3H₃N) + H₃N = (Pb⁺ • 4H₃N)

( • ) +  = ( • 2)

By formula: (Pb⁺ • H₃N) + H₃N = (Pb⁺ • 2H₃N)

C₂H₈N⁺ +  = (C₂H₈N⁺ • )

By formula: C₂H₈N⁺ + H₃N = (C₂H₈N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₅O₃⁺ +  = (C₆H₁₅O₃⁺ • )

By formula: C₆H₁₅O₃⁺ + H₃N = (C₆H₁₅O₃⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + H₃N = (CH₆N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: Pb⁺ + H₃N = (Pb⁺ • H₃N)

( • ) +  = ( • 2)

By formula: (H^- • H₃N) + H₃N = (H^- • 2H₃N)

(H₂N^- • ) +  = (H₂N^- • 2)

By formula: (H₂N^- • H₃N) + H₃N = (H₂N^- • 2H₃N)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2CHN • H₃N) + CHN = (H₄N⁺ • 3CHN • H₃N)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • CHN • H₃N) + CHN = (H₄N⁺ • 2CHN • H₃N)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₃N • C₂H₃N) + H₃N = (H₄N⁺ • 3H₃N • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (50 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

Gas Chromatography

Go To: Top, Gas phase thermochemistry 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

Kovats' RI, non-polar column, isothermal

View large format table.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Fehsenfeld and Ferguson, 1973
Fehsenfeld, F.C.; Ferguson, E.E., Thermal Energy Positive Ion Reactions in a Wet Atmosphere Containing Ammonia, J. Chem. Phys., 1973, 59, 12, 6272, https://doi.org/10.1063/1.1680006 . [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W., Ion-Molecule Reactions in NO - NH3 Gas Mixtures, J. Chem. Phys., 1971, 54, 11, 4860, https://doi.org/10.1063/1.1674763 . [all data]

Tang and Castleman, 1975
Tang, I.N.; Castleman, A.W., Gas - Phase Solvation of the Ammonium Ion in Ammonia, J. Chem. Phys., 1975, 62, 11, 4576, https://doi.org/10.1063/1.430331 . [all data]

Arshadi and Futrell, 1974
Arshadi, M.R.; Futrell, J.H., Studies in High - Pressure Mass Spectrometry. V. Thermodynamics of Solvation Reactions. NH4+ - NH3, J. Phys. Chem., 1974, 78, 15, 1482, https://doi.org/10.1021/j100608a008 . [all data]

Long and Franklin, 1973
Long, J.W.; Franklin, J.L., Ion-Cluster Reactions in a Drift Tube Ion Source, Int. J. Mass Spectrom. Ion Phys, 1973, 12, 5, 403, https://doi.org/10.1016/0020-7381(73)80025-7 . [all data]

Searles and Kebarle, 1968
Searles, S.K.; Kebarle, P., Ion-Solvent-Molecule Interactions in the Gas Phase. Enthalpies and Entropies for the Reactions NH4+(NH3)(n-1) + NH3 = NH4+(NH3)n, J. Phys. Chem., 1968, 72, 2, 742, https://doi.org/10.1021/j100848a061 . [all data]

Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w, Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485 . [all data]

Wincel, 1972
Wincel, H., Ion-Molecule Reactions in Ammonia at High Pressures, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 3, 267, https://doi.org/10.1016/0020-7381(72)80053-6 . [all data]

Tschurl and Boesl, 2008
Tschurl, M.; Boesl, U., IR-photodissociation and photodetachment spectroscopy of Cl-center dot(NH3)(x) (IR : x=1-4, PD : x=1), Chem. Phys. Lett., 2008, 456, 4-6, 150-155, https://doi.org/10.1016/j.cplett.2008.03.041 . [all data]

Evans, Keesee, et al., 1987
Evans, D.H.; Keesee, R.G.; Castleman Jr., The Association of Ammonia with Halide Ions in the Gas Phase, J. Chem. Phys., 1987, 86, 5, 2927, https://doi.org/10.1063/1.452043 . [all data]

Markovich, Chesnovsky, et al., 1993
Markovich, G.; Chesnovsky, O.; Kaldor, U., Charge Transfer Excitations in the Photoelectron Spectrum of Cl-NH3: Experiment and calculation, J. Chem. Phys, 1993, https://doi.org/10.1063/1.465913 . [all data]

Larson and McMahon, 1984
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Larson and McMahon, 1984, 2
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Wei, S.; Tzeng, W.B.; Castleman, A.W., Kinetic Energy Release Measurements of Ammonia Cluster Ions During Metastable Decomposition and Determination of Cluster Ion Binding Energies, J. Chem. Phys., 1990, 92, 1, 332, https://doi.org/10.1063/1.458434 . [all data]

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Kamke, W.; Herrmann, R.; Wang, Z.; Hertel, I.V., On the Photoionization and Fragmentation of Ammonia Clusters using TPEPICO, Z. Phys. D., 1988, 10, 4, 491, https://doi.org/10.1007/BF01425768 . [all data]

Hogg, Haynes, et al., 1966
Hogg, A.M.; Haynes, R.M.; Kebarle, P., Ion-Solvent Molecule Interactions Studied in the Gas Phase. Heats and Entropies of Individual Steps. NH4+.(n-1)NH3 = NH4+.nNH3, J. Am. Chem. Soc., 1966, 88, 1, 28, https://doi.org/10.1021/ja00953a006 . [all data]

Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L., Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids, J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024 . [all data]

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Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

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Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Castleman, Holland, et al., 1978
Castleman, A.W.; Holland, P.M.; Lindsay, D.M.; Peterson, K.I., The Properties of Clusters in the Gas Phase. 2. Ammonia about Metal Ions, J. Am. Chem. Soc., 1978, 100, 19, 6039, https://doi.org/10.1021/ja00487a011 . [all data]

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Wickham-Jones, C.T.; Ervin, K.M.; Ellison, G.B.; Lineberger, W.C., NH2 Electron Affinity, J. Chem. Phys., 1989, 91, 4, 2762, https://doi.org/10.1063/1.456994 . [all data]

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MacKay, G.J.; Hemsworth, R.S.; Bohme, D.K., Absolute gas-phase acidities of CH₃NH₂, C₂H₅NH₂, (CH₃)₂NH, and (CH₃)₃N, Can. J. Chem., 1976, 54, 1624. [all data]

Check, Faust, et al., 2001
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Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

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Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]

Meot-Ner (Mautner) and Sieck, 1990
Meot-Ner (Mautner), M.; Sieck, L.W., Ion Thermochemistry at High Temperatures. 1. Thermochemistry of the Ammonium Ion from Variable - Temperature Equilibrium Measurements. Proton Transfer, Association, and Decomposition Reactions in Ammonia, Isobutene, and t-Butylamine, J. Phys. Chem., 1990, 94, 19, 7730, https://doi.org/10.1021/j100382a076 . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

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Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

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Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G., A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase, J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Stone and Splinter, 1984
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Deakyne, Knuth, et al., 1994
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Davidson and Kebarle, 1976
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Guo and Castleman, 1991
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Tzeng, Wei, et al., 1991
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Anderson, Jurel, et al., 1973
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Notes

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• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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