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Triethyl phosphate

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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

Quantity Value Units Method Reference Comment
Tboil489.KN/AHaertel, 1985Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltavap55.7kJ/molCGCPanneerselvam, Antony, et al., 2007Based on data from 413. - 453. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
46.3327.AStephenson and Malanowski, 1987Based on data from 312. - 484. K. See also Stull, 1947.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
312.8 - 484.4.892372277.195-19.17Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)909.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity879.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.0PEChattorpadhyay, Findley, et al., 1981LLK
9.79PEHodges, McDonnell, et al., 1980LLK
12.8 ± 0.2EIBafus, Gallegos, et al., 1966RDSH
10.06 ± 0.27EIBafus, Gallegos, et al., 1966RDSH
10.69PEChattorpadhyay, Findley, et al., 1981Vertical value; LLK
10.54PEVovna, Lopatin, et al., 1975Vertical value; LLK
10.4PEBetteridge, Thompson, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+16.8 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
C2H6O3P+15.5 ± 0.4?EIBafus, Gallegos, et al., 1966RDSH
C2H6O4P+13.5 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH
C2H7O3P+13.5 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH
C2H8O3P+13.6 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
C2H8O4P+12.7 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
C4H11O3P+11.6 ± 0.4?EIBafus, Gallegos, et al., 1966RDSH
C4H12O3P+12.3 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
C4H12O4P+11.5 ± 0.3C2H3EIBafus, Gallegos, et al., 1966RDSH
C5H12O4P+11.9 ± 0.3CH3EIBafus, Gallegos, et al., 1966RDSH
PH2O3+17.8 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH
PH3O3+14.4 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
PH4O3+14.5 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH
PH4O4+14.3 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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


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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118734

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone120.1081.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 «mu»m
CapillaryMethyl Silicone140.1079.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 «mu»m
PackedSE-30220.1108.Zulaïca and Guiochon, 1963Column length: 2. m

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedSE-301109.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M130.1656.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 «mu»m
CapillaryPEG-20M150.1659.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 «mu»m
CapillaryPEG-20M130.1656.1Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 «mu»m

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

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Column type Active phase I Reference Comment
CapillaryOV-11090.Kostiainen, 200015. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 280. C @ 10. min
CapillarySE-541137.2Kostiainen, 200025. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min
CapillaryDB-11088.Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-51120.5Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-51121.3Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-51121.5Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-11090.7D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min
CapillaryDB-51137.2D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min; Tend: 300. C
PackedSE-301091.Messadi and Vergnaud, 1979N2, Chromosorb Q, 10. K/min; Tstart: 100. C; Tend: 340. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1011091.Yasuhara, Shiraishi, et al., 199715. m/0.25 mm/0.25 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary5 % Phenyl methyl siloxane1127.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1672.1D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11087.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryDB-11090.5D'Agostino, Hansen, et al., 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryDB-51137.2D'Agostino, Hansen, et al., 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1096.Zenkevich, 1999Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1091.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1109.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone1109.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Haertel, 1985
Haertel, G.H., Low-volatility polar organic solvents for sulfur dioxide, hydrogen sulfide, and carbonyl sulfide., J. Chem. Eng. Data, 1985, 30, 57. [all data]

Panneerselvam, Antony, et al., 2007
Panneerselvam, K.; Antony, M.P.; Srinivasan, T.G.; Rao, P.R. Vasudeva, Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography, Thermochimica Acta, 2007, 466, 1-2, 49-56, https://doi.org/10.1016/j.tca.2007.10.007 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [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]

Hunter and Lias, 1998
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]

Chattorpadhyay, Findley, et al., 1981
Chattorpadhyay, S.; Findley, G.L.; McGlynn, S.P., Photoelectron spectroscopy of phosphites and phosphates, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 27. [all data]

Hodges, McDonnell, et al., 1980
Hodges, R.V.; McDonnell, T.J.; Beauchamp, J.L., Properties reactions of trimethyl phosphite, trimethyl phosphate, triethyl phosphate, and trimethyl phosphorothionate by ion cyclotron resonance spectroscopy, J. Am. Chem. Soc., 1980, 102, 1327. [all data]

Bafus, Gallegos, et al., 1966
Bafus, D.A.; Gallegos, E.J.; Kiser, R.W., An electron impact investigation of some alkyl phosphate esters, J. Phys. Chem., 1966, 70, 2614. [all data]

Vovna, Lopatin, et al., 1975
Vovna, V.I.; Lopatin, S.N.; Pettsol'd, R.; Vilesov, F.I., Photoelectron spectra and electronic structure of some phosphoryl compounds, Khim. Vys. Energ., 1975, 9, 9. [all data]

Betteridge, Thompson, et al., 1972
Betteridge, D.; Thompson, M.; Baker, A.D.; Kemp, N.R., Photoelectron spectra of phosphorus halides, alkyl phosphites and phosphates, organophosphorus pesticides, and related compounds, Anal. Chem., 1972, 44, 2005. [all data]

Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J., Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data, Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031 . [all data]

Zulaïca and Guiochon, 1963
Zulaïca, J.; Guiochon, G., Séparation et identification de di-esters aliphatiques et aromatiques et de trimesters phosphoriques par chromatographie en phase gazeuse, Bull. Soc. Chim. Fr., 1963, 6, 1242-1252. [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Kostiainen, 2000
Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]

Hancock and Peters, 1991
Hancock, J.R.; Peters, G.R., Retention index monitoring of compounds of chemical defence interest using thermal desorption gas chromatography, J. Chromatogr., 1991, 538, 2, 249-257, https://doi.org/10.1016/S0021-9673(01)88845-2 . [all data]

D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R., Gas chromatographic retention indices of chemical warfare agents and simulants, J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4 . [all data]

Messadi and Vergnaud, 1979
Messadi, D.; Vergnaud, J.-M., Quick identification and analysis of plasticizers in PVC by programmed-temperature gas chromatography using the best stationary phases, J. Appl. Polym. Sci., 1979, 24, 5, 1215-1225, https://doi.org/10.1002/app.1979.070240507 . [all data]

Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y., Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry, J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

D'Agostino, Hansen, et al., 1985
D'Agostino, P.A.; Hansen, A.S.; Lockwood, P.A.; Provost, L.R., Capillary Column Gas Chromatography-Mass Spectrometry of Tabun, J. Chromatogr., 1985, 347, 257-266, https://doi.org/10.1016/S0021-9673(01)95491-3 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Precalculation of Gas Chromatographic Retention Indices of Organic Compounds from Boiling Points of their Structural Analogues, Zh. Struct. Khim., 1999, 40, 1, 121-130. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

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