Triphenylphosphine oxide

• Formula: C₁₈H₁₅OP
• Molecular weight: 278.2849
• IUPAC Standard InChI: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H Copy

  
• IUPAC Standard InChIKey: FIQMHBFVRAXMOP-UHFFFAOYSA-N Copy
• CAS Registry Number: 791-28-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Phosphine oxide, triphenyl-; Triphenyl phosphorus oxide; (C6H5)3P=O; Triphenylphosphanoxid; Triphenylphosphanoxide; (C6H5)3PO
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (KBr PELLET); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-400 CM ^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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

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

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Huinink, van Miltenberg, et al., 1989
Huinink, J.; van Miltenberg, K.; Oonk, H.A.J.; Scherijff, A., Thermodynamic functions and vapor pressures of triphenylphosphine oxide and 1,4-bis(diphenylphosphino)butane, J. Chem. Eng. Data, 1989, 34(1), 99-100. [all data]

Jorge, Airoldi, et al., 1978
Jorge, R.A.; Airoldi, C.; Chagas, A.P., Thermochemistry of dichlorobis(triphenylphosphine oxide)-zinc(II), -cadmium(II), and -mercury(II), 1978, J. [all data]

Harrop and Head, 1977
Harrop, D.; Head, A.J., Thermodynamic properties of phosphorus compounds. 4. The energy of combustion of triphenylphosphine oxide: a test substance for the combustion calorimetry of organophosphorus compounds, J. Chem. Thermodynam., 1977, 9, 1067-1076. [all data]

Hulnick, Van Miltenburg, et al., 1989
Hulnick, J.; Van Miltenburg, K.; Oonk, H.A.; Schuljff, A.J., J. Chem. Eng. Data, 1989, 99. [all data]

Kirklin and Domalski, 1988
Kirklin, D.R.; Domalski, E.S., Enthalpies of combustion of triphenylphosphine and triphenylphosphine oxide, J. Chem. Thermodyn., 1988, 20, 743. [all data]

Jorge, Airoldi, et al., 1978, 2
Jorge, R.A.; Airoldi, C.; Chagas, A.P., Thermochemistry of dichlorobis(triphenylphosphine oxide)-zinc(II), -cadmium(II), and -mercury(II), J. Chem. Soc., Dalton Trans., 1978, No. 9, 1102-4. [all data]

Takashina and Price, 1962
Takashina, N.; Price, C.C., A Crystalline Hexamer from Acrylonitrle, J. Am. Chem. Soc., 1962, 84, 489-91. [all data]

Jorge, Airoldi, et al., 1978, 3
Jorge, Renato A.; Airoldi, Claudio; Chagas, A«65533»cio P., Thermochemistry of dichlorobis(triphenylphosphine oxide)-zinc(II), -cadmium(II), and -mercury(II), J. Chem. Soc., Dalton Trans., 1978, 9, 1102, https://doi.org/10.1039/dt9780001102 . [all data]

Huinink, Van Miltenburg, et al., 1989
Huinink, Jan; Van Miltenburg, Kees; Oonk, Harry A.J.; Schuijff, Abraham; Groen, Paul, Thermodynamic functions and vapor pressures of triphenylphosphine oxide and 1,4-bis(diphenylphosphino)butane near the melting point, J. Chem. Eng. Data, 1989, 34, 1, 99-100, https://doi.org/10.1021/je00055a028 . [all data]

Kirklin and Domalski, 1988, 2
Kirklin, D.R.; Domalski, E.S., Enthalpies of combustion of triphenylphosphine and triphenylphosphine oxide, J. Chem. Thermodynam., 1988, 20, 743-754. [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]

Lang (editor), 1965
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1965, 5, 189. [all data]

Hankemeier, Rozenbrand, et al., 1998
Hankemeier, Th.; Rozenbrand, J.; Abhadur, M.; Vreuls, J.J.; Brinkman, U.A.Th., Data Correlation in On-Line Solid-Phase Extraction - Gas Chromatography - Atomic Emission / Mass Spectrometric Detection of Unknown Microcontaminants, Chromatographia, 1998, 48, 3/4, 273-283, https://doi.org/10.1007/BF02467683 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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