Phosphorus oxychloride

• Formula: Cl₃OP
• Molecular weight: 153.332
• IUPAC Standard InChI: InChI=1S/Cl3OP/c1-5(2,3)4 Copy

  
• IUPAC Standard InChIKey: XHXFXVLFKHQFAL-UHFFFAOYSA-N Copy
• CAS Registry Number: 10025-87-3
• Chemical structure:
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• Other names: Phosphoryl chloride; Phosphoric chloride; Phosphoric trichloride; Phosphorus chloride oxide (POCl3); Phosphorus oxide trichloride; Phosphorus oxytrichloride; Phosphoryl trichloride; Trichlorophosphine oxide; Trichlorophosphorus oxide; POCl3; Phosphorus(V) trichloride oxide; Phosphorous oxychloride; Phosphorus oxide chloride; Fosforoxychlorid; Oxychlorid fosforecny; UN 1810; OPCl3; Phosphoroxychloride
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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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

Antoine Equation Parameters

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

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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 by: 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

 +  = Cl₄OP^-

By formula: Cl^- + Cl₃OP = Cl₄OP^-

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 by: John E. Bartmess

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

 +  = Cl₄OP^-

By formula: Cl^- + Cl₃OP = Cl₄OP^-

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:   C₂     Symmetry Number σ = 2

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.

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Sladkov and Parusova, 1977
Sladkov, I.B.; Parusova, N.D., Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 319. [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]

Check, Lobring, et al., 2003
Check, C.E.; Lobring, K.C.; Keating, P.R.; Gilbert, T.M.; Sunderlin, L.S., Effect of substituents on the strength of hypervalent phosphorus-halogen bonds, J. Phys. Chem. A, 2003, 107, 42, 8961-8967, https://doi.org/10.1021/jp030287x . [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]

Notes

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• Symbols used in this document:
  

  Pc	Critical pressure
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Vc	Critical volume
  ΔrH°	Enthalpy of reaction at standard conditions

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