Phosphine

• Formula: H₃P
• Molecular weight: 33.99758
• IUPAC Standard InChI: InChI=1S/H3P/h1H3 Copy

  
• IUPAC Standard InChIKey: XYFCBTPGUUZFHI-UHFFFAOYSA-N Copy
• CAS Registry Number: 7803-51-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Trihydrogen phosphide; Hydrogen phosphide; Phosphorus trihydride; PH3; Phosphene; Phosphorus hydride; Fosforowodor; Gas-ex-B; Phosphorwasserstoff; Rcra waste number P096; UN 2199
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
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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.

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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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of sublimation

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:
B - John E. Bartmess
M - 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. 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

H₂P^- +  =

By formula: H₂P^- + H⁺ = H₃P

(H₄P⁺ • 4) +  = (H₄P⁺ • 5)

By formula: (H₄P⁺ • 4H₃P) + H₃P = (H₄P⁺ • 5H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • 2) +  = (H₄P⁺ • 3)

By formula: (H₄P⁺ • 2H₃P) + H₃P = (H₄P⁺ • 3H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • 3) +  = (H₄P⁺ • 4)

By formula: (H₄P⁺ • 3H₃P) + H₃P = (H₄P⁺ • 4H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • ) +  = (H₄P⁺ • 2)

By formula: (H₄P⁺ • H₃P) + H₃P = (H₄P⁺ • 2H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

H₄P⁺ +  = (H₄P⁺ • )

By formula: H₄P⁺ + H₃P = (H₄P⁺ • H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

H₆P₃⁺ +  = (H₆P₃⁺ • )

By formula: H₆P₃⁺ + H₃P = (H₆P₃⁺ • H₃P)

H₅P₂⁺ +  = (H₅P₂⁺ • )

By formula: H₅P₂⁺ + H₃P = (H₅P₂⁺ • H₃P)

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: Coblentz Society, Inc.

Spectrum

A digitized version of this spectrum is not currently available.

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

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_3ν     Symmetry Number σ = 3

Source: Shimanouchi, 1972

Notes

References

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

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

Clusius and Weigand, 1940
Clusius, K.; Weigand, K., Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting, Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]

Frank and Clusius, 1939
Frank, A.; Clusius, K., Z. Phys. Chem. Abt. B, 1939, 42, 395. [all data]

Stephenson and Giauque, 1937
Stephenson, C.C.; Giauque, W.F., A Test of the Third Law of Thermodynamics by Means of Two Crystalline Forms of Phosphine. The Heat Capacity, Heat of Vaporization and Vapor Pressure of Phosphine. Entropy of the Gas, J. Chem. Phys., 1937, 5, 2, 149, https://doi.org/10.1063/1.1749994 . [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]

Ervin and Lineberger, 2005
Ervin, K.M.; Lineberger, W.C., Photoelectron spectroscopy of phosphorus hydride anions, J. Chem. Phys., 2005, 122, 19, 194303, https://doi.org/10.1063/1.1881153 . [all data]

Curtiss, Raghavachari, et al., 1991
Curtiss, L.A.; Raghavachari, K.; Trucks, G.W.; Pople, J.A., Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds, J. Chem. Phys., 1991, 94, 11, 7221, https://doi.org/10.1063/1.460205 . [all data]

Ricca and Bauschlicher, 1998
Ricca, A.; Bauschlicher, C.W., Jr., Accurate Heats of Formation for PHn, PHn+, and PHn-, Chem. Phys. Lett., 1998, 285, 5-6, 455, https://doi.org/10.1016/S0009-2614(97)01468-1 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Halmann and Platzner, 1969
Halmann, M.; Platzner, I., Negative Ions Produced by Electron Capture in Phosphine, J. Phys. Chem., 1969, 73, 12, 4376, https://doi.org/10.1021/j100846a062 . [all data]

Ebinghaus, Kraus, et al., 1964
Ebinghaus, H.; Kraus, K.; Neuert, H.; Muller-Duysing, W., Negative Ionen durch Elecktronenresonanzeinfang in PH₃, AsH₃, und SiH₄, Z. Naturfor., 1964, 19A, 732. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Long and Franklin, 1974
Long, J.W.; Franklin, J.L., Ion - Solvation Reactions of Phosphine, J. Am. Chem. Soc., 1974, 96, 8, 2320, https://doi.org/10.1021/ja00815a003 . [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Ttriple	Triple point 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
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

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