Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Benzene, hexafluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-1015.kJ/molSemiStewart, 2004 
Deltafgas-956.0 ± 1.2kJ/molCcrCox, Gundry, et al., 1969ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-991.7 ± 1.2kJ/molCcrCox, Gundry, et al., 1969ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2041. ± 8.4kJ/molCcrKrech, Price, et al., 1972«DELTA»Er=-489.0 kcal/mol; ALS
Deltacliquid-2443.6 ± 1.2kJ/molCcrCox, Gundry, et al., 1969ALS
Quantity Value Units Method Reference Comment
liquid280.79J/mol*KN/AMesserly and Finke, 1970DH
liquid279.91J/mol*KN/ACounsell, Green, et al., 1965DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
225.03298.15Wilhelm, Lainez, et al., 1987DH
222.0300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
221.6298.15Gorbunova, Simonov, et al., 1982T = 280 to 680 K. Data calculated from the equation: Cp(liq) (kJ/kg*K) = 1.19132 - 1.0716x10-3T + 3.59x10-6T2.; DH
221.3298.76Gorbunova, Simonov, et al., 1982, 2T = 284 to 350 K. Value is unsmoothed experimental datum. Cp (298.76 K) given as 1.1892 J/g*K.; DH
221.58298.15Messerly and Finke, 1970T = 13 to 342 K.; DH
221.58298.15Counsell, Green, et al., 1965T = 10 to 310 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil353.4 ± 0.3KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus278.2 ± 0.2KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple278.30KN/AMesserly and Finke, 1970, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple278.14KN/APaukov and Glukhikh, 1967Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; TRC
Ttriple278.25KN/ACounsell, Green, et al., 1965, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc517. ± 1.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33. ± 3.barAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.3351l/molN/ADouslin, Harrison, et al., 1969Uncertainty assigned by TRC = 0.0017 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc2.958mol/lN/AHales and Townsend, 1974Uncertainty assigned by TRC = 0.0029 mol/l; Liquid density determined by magnetically balanced float up to 490 K, see J.L.Hales, 1970-128. Critical D by equation due to Riedel.; TRC
rhoc2.65mol/lN/AMousa, Kay, et al., 1972Uncertainty assigned by TRC = 0.0264 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap35.9 ± 0.6kJ/molAVGN/AAverage of 9 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
354.70.991Aldrich Chemical Company Inc., 1990BS
354. - 355.0.991PCR Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.66353.3N/AMajer and Svoboda, 1985 
36.5293.N/ADouslin and Osborn, 2002Based on data from 275. - 387. K.; AC
34.4333.EBAmbrose, Ewing, et al., 1990Based on data from 318. - 376. K.; AC
31.8425.N/ADavies, Ewing, et al., 1988Based on data from 403. - 516. K.; AC
36.5293.AStephenson and Malanowski, 1987Based on data from 278. - 354. K.; AC
33.2363.AStephenson and Malanowski, 1987Based on data from 348. - 389. K.; AC
32.2399.AStephenson and Malanowski, 1987Based on data from 384. - 462. K.; AC
31.8473.AStephenson and Malanowski, 1987Based on data from 458. - 517. K.; AC
35.7308.N/APatrick and Tomes, 1980Based on data from 293. - 323. K.; AC
36.2292.MMFindlay, 1969Based on data from 278. - 321. K.; AC
32.2378.EBEvans and Tiley, 1966Based on data from 363. - 516. K.; AC
35.1308.N/APatrick and Prosser, 1964Based on data from 293. - 356. K.; AC
35.5308.N/APatrick and Prosser, 1964Based on data from 293. - 358. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
301. - 377.55.090.3016516.7Majer and Svoboda, 1985 

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
353.40 - 516.674.631271563.21-15.19Douslin, Harrison, et al., 1969, 2Coefficents calculated by NIST from author's data.
277.89 - 321.003.987511153.509-64.352Findlay, 1969Coefficents calculated by NIST from author's data.
310.4 - 361.944.143561220.117-58.543Counsell, Green, et al., 1965Coefficents calculated by NIST from author's data.
278.4 - 387.194.160541229.449-57.503Douslin and Osborn, 1965Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
49.2263.AStephenson and Malanowski, 1987Based on data from 215. - 278. K. See also Douslin and Osborn, 2002.; AC
49.8253.IP,AScott and Osborn, 1979Based on data from 238. - 268. K.; AC
46.0316.BCounsell, Green, et al., 1965, 2AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.585278.30Messerly and Finke, 1970DH
11.590278.25Counsell, Green, et al., 1965DH
11.59278.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
41.63278.30Messerly and Finke, 1970DH
41.65278.25Counsell, Green, et al., 1965DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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.

Individual Reactions

Chlorine anion + Benzene, hexafluoro- = (Chlorine anion bullet Benzene, hexafluoro-)

By formula: Cl- + C6F6 = (Cl- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar70.3 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Deltar64.9 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Deltar113.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar37. ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Deltar36. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

C6H6+ + Benzene, hexafluoro- = (C6H6+ bullet Benzene, hexafluoro-)

By formula: C6H6+ + C6F6 = (C6H6+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar50.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

C6H7N+ + Benzene, hexafluoro- = (C6H7N+ bullet Benzene, hexafluoro-)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C6F6- + Benzene, hexafluoro- = (C6F6- bullet Benzene, hexafluoro-)

By formula: C6F6- + C6F6 = (C6F6- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar39. ± 19.kJ/molN/ANakajima, Taguwa, et al., 1993gas phase; Vertical Detachment Energy: 1.760±0.040 eV; B
Deltar43.5 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar10. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B

Fluorine anion + Benzene, hexafluoro- = (Fluorine anion bullet Benzene, hexafluoro-)

By formula: F- + C6F6 = (F- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar115. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar99.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar85.4 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B

Iodide + Benzene, hexafluoro- = (Iodide bullet Benzene, hexafluoro-)

By formula: I- + C6F6 = (I- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar46.0 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar72.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar24. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

Bromine anion + Benzene, hexafluoro- = (Bromine anion bullet Benzene, hexafluoro-)

By formula: Br- + C6F6 = (Br- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar58.2 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar81.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar34. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

C6F6+ + Benzene, hexafluoro- = (C6F6+ bullet Benzene, hexafluoro-)

By formula: C6F6+ + C6F6 = (C6F6+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar30.kJ/molPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M

(Chlorine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Chlorine anion bullet 2Benzene, hexafluoro-)

By formula: (Cl- bullet C6F6) + C6F6 = (Cl- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar57.7kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

(Iodide bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Iodide bullet 2Benzene, hexafluoro-)

By formula: (I- bullet C6F6) + C6F6 = (I- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar43.5kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar90.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

(Bromine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Bromine anion bullet 2Benzene, hexafluoro-)

By formula: (Br- bullet C6F6) + C6F6 = (Br- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

(Fluorine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Fluorine anion bullet 2Benzene, hexafluoro-)

By formula: (F- bullet C6F6) + C6F6 = (F- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar31.kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar52.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

Au- + Benzene, hexafluoro- = C6AuF6-

By formula: Au- + C6F6 = C6AuF6-

Quantity Value Units Method Reference Comment
Deltar100. ± 17.kJ/molN/AHo and Dunbar, 1999gas phase; B

Chromium ion (1+) + Benzene, hexafluoro- = (Chromium ion (1+) bullet Benzene, hexafluoro-)

By formula: Cr+ + C6F6 = (Cr+ bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar79.1kJ/molRAKRyzhov, 1999RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

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
L - 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)9.90 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)648.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity624.4kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.530 ± 0.050KineMiller, Van Doren, et al., 2004B
0.52 ± 0.11IMREDillow and Kebarle, 1989«DELTA»Gea(423 K) = -14.9±1.0 kcal/mol at 423 K, assumed entropy = 3.5 eu; B
0.70 ± 0.10LPESEustis, Wang, et al., 2007Vertical Detachment Energy: 1.55±0.02 eV; B
0.477006KineChristophorou and Datkos, 1995B
0.80 ± 0.10LPESNakajima, Taguwa, et al., 1993Vertical Detachment Energy: 1.56±0.03 eV; B
0.83 ± 0.20TDAsChen, Wiley, et al., 1994Claim that Kebarle and Chowdhury, 1987 involves an excited state; B
0.860 ± 0.030ECDWentworth, Limero, et al., 1987B
1.80 ± 0.30EndoLifshitz, Tiernan, et al., 1973B
1.200 ± 0.069SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PEMaier and Thommen, 1981LLK
9.906PEBieri, Asbrink, et al., 1981LLK
9.90 ± 0.05PEBastide, Hall, et al., 1979LLK
9.91PESell, Mintz, et al., 1978LLK
10.2 ± 0.1EIPraet, Hubin-Franskin, et al., 1977LLK
9.93PEBrundle, Robin, et al., 1972LLK
9.90 ± 0.01SSmith and Raymonda, 1971LLK
9.88 ± 0.05PEClark and Frost, 1967RDSH
9.97PIBralsford, Harris, et al., 1960RDSH
10.2PEBieri, Asbrink, et al., 1981Vertical value; LLK
10.14PETrudell and Price, 1979Vertical value; LLK
10.09PEKobayashi, 1978Vertical value; LLK
10.09PEKobayashi and Nagakura, 1975Vertical value; LLK
9.90PEStreets and Ceasar, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+18.3 ± 0.1?EIPraet, Hubin-Franskin, et al., 1977LLK
CF+17.3 ± 0.3?EIDibeler, Reese, et al., 1957RDSH
CF3+25.2 ± 0.4CF+C3+CF2EIPraet, Hubin-Franskin, et al., 1977LLK
CF3+15.3 ± 0.5?EIPraet, Hubin-Franskin, et al., 1977LLK
CF3+21.3 ± 0.4CF+C4F2EIPraet, Hubin-Franskin, et al., 1977LLK
CF3+17.1?EIDibeler, Reese, et al., 1957RDSH
C3F+22. ± 1.?EIDibeler, Reese, et al., 1957RDSH
C3F2+15.8 ± 0.1?EIPraet, Hubin-Franskin, et al., 1977LLK
C3F2+18.9 ± 0.5?EIDibeler, Reese, et al., 1957RDSH
C3F3+16.5 ± 0.4C3F3EIPraet, Hubin-Franskin, et al., 1977LLK
C3F3+21. ± 0.4CF+C2F2EIPraet, Hubin-Franskin, et al., 1977LLK
C3F3+17.1 ± 0.2C3F3EIPraet, Hubin-Franskin, et al., 1977LLK
C3F3+16.8 ± 0.3?EIDibeler, Reese, et al., 1957RDSH
C4F2+19.8 ± 0.5?EIPraet, Hubin-Franskin, et al., 1977LLK
C4F2+18. ± 1.?EIDibeler, Reese, et al., 1957RDSH
C5F+29.0 ± 0.5?EIDibeler, Reese, et al., 1957RDSH
C5F2+20.7 ± 0.1?EIPraet, Hubin-Franskin, et al., 1977LLK
C5F2+24.8 ± 0.4F2+CF2EIPraet, Hubin-Franskin, et al., 1977LLK
C5F2+24.8 ± 0.4F+CF3EIPraet, Hubin-Franskin, et al., 1977LLK
C5F2+22. ± 1.?EIDibeler, Reese, et al., 1957RDSH
C5F3+15.85 ± 0.01CF3ENDAdams, Smith, et al., 1985LBLHLM
C5F3+16.1 ± 0.4CF3EIPraet, Hubin-Franskin, et al., 1977LLK
C5F3+15.8 ± 0.1?EIPraet, Hubin-Franskin, et al., 1977LLK
C5F3+18.8 ± 0.4F+CF2EIPraet, Hubin-Franskin, et al., 1977LLK
C5F3+15.8 ± 0.2?EIDibeler, Reese, et al., 1957RDSH
C5F4+16.4 ± 0.2CF2EIPraet, Hubin-Franskin, et al., 1977LLK
C5F4+16.3 ± 0.4CF2EIPraet, Hubin-Franskin, et al., 1977LLK
C5F4+16.1 ± 0.3?EIDibeler, Reese, et al., 1957RDSH
C5F5+16.4 ± 0.2?EIPraet, Hubin-Franskin, et al., 1977LLK
C5F5+17.2 ± 0.2CFEIDibeler, Reese, et al., 1957RDSH
C6F5+17.2 ± 0.2FEIPraet, Hubin-Franskin, et al., 1977LLK
C6F5+16.86 ± 0.05FEIPrice and Sapiano, 1974LLK
C6F5+16.9 ± 0.1FEIMajer and Patrick, 1962RDSH
F+29.2 ± 0.5?EIDibeler, Reese, et al., 1957RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

Au- + Benzene, hexafluoro- = C6AuF6-

By formula: Au- + C6F6 = C6AuF6-

Quantity Value Units Method Reference Comment
Deltar100. ± 17.kJ/molN/AHo and Dunbar, 1999gas phase; B

Bromine anion + Benzene, hexafluoro- = (Bromine anion bullet Benzene, hexafluoro-)

By formula: Br- + C6F6 = (Br- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar58.2 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar81.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar34. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Bromine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Bromine anion bullet 2Benzene, hexafluoro-)

By formula: (Br- bullet C6F6) + C6F6 = (Br- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

C6F6+ + Benzene, hexafluoro- = (C6F6+ bullet Benzene, hexafluoro-)

By formula: C6F6+ + C6F6 = (C6F6+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar30.kJ/molPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M

C6F6- + Benzene, hexafluoro- = (C6F6- bullet Benzene, hexafluoro-)

By formula: C6F6- + C6F6 = (C6F6- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar39. ± 19.kJ/molN/ANakajima, Taguwa, et al., 1993gas phase; Vertical Detachment Energy: 1.760±0.040 eV; B
Deltar43.5 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar10. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B

C6H6+ + Benzene, hexafluoro- = (C6H6+ bullet Benzene, hexafluoro-)

By formula: C6H6+ + C6F6 = (C6H6+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar50.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

C6H7N+ + Benzene, hexafluoro- = (C6H7N+ bullet Benzene, hexafluoro-)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Chlorine anion + Benzene, hexafluoro- = (Chlorine anion bullet Benzene, hexafluoro-)

By formula: Cl- + C6F6 = (Cl- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar70.3 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Deltar64.9 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Deltar113.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar37. ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Deltar36. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Chlorine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Chlorine anion bullet 2Benzene, hexafluoro-)

By formula: (Cl- bullet C6F6) + C6F6 = (Cl- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar57.7kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

Chromium ion (1+) + Benzene, hexafluoro- = (Chromium ion (1+) bullet Benzene, hexafluoro-)

By formula: Cr+ + C6F6 = (Cr+ bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar79.1kJ/molRAKRyzhov, 1999RCD

Fluorine anion + Benzene, hexafluoro- = (Fluorine anion bullet Benzene, hexafluoro-)

By formula: F- + C6F6 = (F- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar115. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar99.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar85.4 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B

(Fluorine anion bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Fluorine anion bullet 2Benzene, hexafluoro-)

By formula: (F- bullet C6F6) + C6F6 = (F- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar31.kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar52.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

Iodide + Benzene, hexafluoro- = (Iodide bullet Benzene, hexafluoro-)

By formula: I- + C6F6 = (I- bullet C6F6)

Quantity Value Units Method Reference Comment
Deltar46.0 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar72.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar24. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Iodide bullet Benzene, hexafluoro-) + Benzene, hexafluoro- = (Iodide bullet 2Benzene, hexafluoro-)

By formula: (I- bullet C6F6) + C6F6 = (I- bullet 2C6F6)

Quantity Value Units Method Reference Comment
Deltar43.5kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar90.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 Japan AIST/NIMC Database- Spectrum MS-NW-3049
NIST MS number 231244

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.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Hitchcock, Fischer, et al., 1987
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 1398
Instrument n.i.g.
Melting point 5.3
Boiling point 80.2

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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.

Column type Active phase Temperature (C) I Reference Comment
PackedC78, Branched paraffin130.546.8Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedC78, Branched paraffin130.548.7Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedSqualane50.576.Müller, Dietrich, et al., 1983 
PackedSqualane100.571.Vernon and Edwards, 1975N2, DCMS-treated Celite; Column length: 1. m
PackedApiezon L100.569.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m

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

View large format table.

Column type Active phase I Reference Comment
PackedSE-30600.Peng, Ding, et al., 1988He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101592.Zenkevich, 200825. m/0.25 mm/0.20 «mu»m, Nitrogen, 60. C @ 0. min, 6. K/min, 240. C @ 0. min
CapillaryOV-101609.Zenkevich, Eliseenkov, et al., 2006Nitrogen, 6. K/min, 240. C @ 10. min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Cox, Gundry, et al., 1969
Cox, J.D.; Gundry, H.A.; Harrop, D.; Head, A.J., Thermodynamic properties of fluorine compounds. 9. Enthalpies of formation of some compounds containing the pentafluorophenyl group, J. Chem. Thermodyn., 1969, 1, 77-87. [all data]

Krech, Price, et al., 1972
Krech, M.; Price, S.J.W.; Yared, W.F., Determination of the heat of formation of hexafluorobenzene, Can. J. Chem., 1972, 50, 2935-2938. [all data]

Messerly and Finke, 1970
Messerly, J.F.; Finke, H.L., Hexafluorobenzene and 1,3-difluorobenzene. Low-temperature calorimetric studies and chemical thermodynamic properties, J. Chem. Thermodynam., 1970, 2, 867-880. [all data]

Counsell, Green, et al., 1965
Counsell, J.F.; Green, J.H.S.; Hales, J.L.; Martin, J.F., Thermodynamic properties of fluorine compounds. Part 2. Physical and thermodynamic properties of hexafluorobenzene, Trans. Faraday Soc., 1965, 61, 212-218. [all data]

Wilhelm, Lainez, et al., 1987
Wilhelm, E.; Lainez, A.; Berkane, M.; Roux-Desgranges, G.; Roux, A.H.; Grolier, J.-P.E., Hydrocarbon/fluorohydrocarbon solutions: thermodyanmic studies on an important class of materials, Calorim. Anal. Therm., 1987, 18, 95-99. [all data]

Gorbunova, Grigoriev, et al., 1982
Gorbunova, N.I.; Grigoriev, V.A.; Simonov, V.M.; Shipova, V.A., Heat capacity of liquid benzene and hexafluorobenzene at atmospheric pressure, Int. J. Thermophysics, 1982, 3, 1-15. [all data]

Gorbunova, Simonov, et al., 1982
Gorbunova, N.I.; Simonov, V.M.; Shipova, V.A., The enthalpy of benzene and hexafluorobenzene in the temperature range of 290-680 K and pressure range 0.1-20.0 MPa, Proc. Symp. Thermophys. Prop. 8th(2), 1982, 409-14. [all data]

Gorbunova, Simonov, et al., 1982, 2
Gorbunova, N.I.; Simonov, V.M.; Shipova, V.A., Thermodynamic properties of hexafluorobenzene, Dokl. Akad. Nauk, 1982, SSSR 266, 850-853. [all data]

Messerly and Finke, 1970, 2
Messerly, J.F.; Finke, H.L., hexafluorobenzene and 1,3-difluorobenzene low temperature calorimetric studies and chemical thermodynamic properties, J. Chem. Thermodyn., 1970, 2, 867-80. [all data]

Paukov and Glukhikh, 1967
Paukov, I.E.; Glukhikh, L.K., Low temperature specific heats and absolute entropies of hexafluorobenzene and pentafluorochlorobenzene, Zh. Vses. Khim. O-va. im. D. I. Mendeleeva, 1967, 12, 236-7. [all data]

Counsell, Green, et al., 1965, 2
Counsell, J.F.; Green, J.H.S.; Hales, J.L.; Martin, J.F., Thermodynamic properties of fluorine compounds Part 2.-Physical and thermodynamic properties of hexafluorobenzene, Trans. Faraday Soc., 1965, 61, 212. [all data]

Douslin, Harrison, et al., 1969
Douslin, D.R.; Harrison, R.H.; Moore, R.T., Pressure-Volume-Temperature Relations of Hexafluorobenzene, J. Chem. Thermodyn., 1969, 1, 305-19. [all data]

Hales and Townsend, 1974
Hales, J.L.; Townsend, R., Liquid Densities from 293 to 490 K of Eight Fluorinated Aromatic Comp., J. Chem. Thermodyn., 1974, 6, 111-6. [all data]

Mousa, Kay, et al., 1972
Mousa, A.H.N.; Kay, W.B.; Kreglewski, A., The critical constants of binary mixtures of certain perfluoro-compounds with alkanes, J. Chem. Thermodyn., 1972, 4, 301-11. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Douslin and Osborn, 2002
Douslin, D.R.; Osborn, A., Pressure measurements in the 0.01-30 torr range with an inclined-piston gauge, J. Sci. Instrum., 2002, 42, 6, 369-373, https://doi.org/10.1088/0950-7671/42/6/301 . [all data]

Ambrose, Ewing, et al., 1990
Ambrose, D.; Ewing, M.B.; Ghiassee, N.B.; Sanchez Ochoa, J.C., The ebulliometric method of vapour-pressure measurement: vapour pressures of benzene, hexafluorobenzene, and naphthalene, The Journal of Chemical Thermodynamics, 1990, 22, 6, 589-605, https://doi.org/10.1016/0021-9614(90)90151-F . [all data]

Davies, Ewing, et al., 1988
Davies, D.R.; Ewing, M.B.; Hugill, J.A.; McGlashan, M.L., The critical temperature, the critical pressure, and the dependence of vapour pressure on temperature for dodecafluorocyclohexane and hexafluorobenzene, Can. J. Chem., 1988, 66, 4, 760-762, https://doi.org/10.1139/v88-131 . [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]

Patrick and Tomes, 1980
Patrick, C.R.; Tomes, F., The vapour pressures and excess free energies of mixing of the systems hexafluorobenzene-carbon tetrachloride and hexafluorobenzene-perfluoromethylcyclohexane, Journal of Fluorine Chemistry, 1980, 15, 4, 267-278, https://doi.org/10.1016/S0022-1139(00)81462-1 . [all data]

Findlay, 1969
Findlay, T.J.V., Vapor pressures of fluorobenzenes from 5 to 50.deg.C, J. Chem. Eng. Data, 1969, 14, 2, 229-231, https://doi.org/10.1021/je60041a012 . [all data]

Evans and Tiley, 1966
Evans, F.D.; Tiley, P.F., Vapour pressures and critical constants of hexafluoro-, pentafluoro-, chloropentafluoro-, and bromopentafluoro-benzene, J. Chem. Soc., B:, 1966, 134, https://doi.org/10.1039/j29660000134 . [all data]

Patrick and Prosser, 1964
Patrick, C.R.; Prosser, G.S., Vapour pressures and related properties of hexafluorobenzene and of pentafluorobenzene, Trans. Faraday Soc., 1964, 60, 700, https://doi.org/10.1039/tf9646000700 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Douslin, Harrison, et al., 1969, 2
Douslin, D.R.; Harrison, R.H.; Moore, R.T., Pressure-Volume-Temperature Relations of Hexafluorobenzene, J. Chem. Thermodyn., 1969, 1, 3, 305-319, https://doi.org/10.1016/0021-9614(69)90050-0 . [all data]

Douslin and Osborn, 1965
Douslin, D.R.; Osborn, A., Pressure Measurements in the 0·01-30 Torr with an Inclined-Piston Gauge, J. Sci. Instrum., 1965, 42, 6, 369-373, https://doi.org/10.1088/0950-7671/42/6/301 . [all data]

Scott and Osborn, 1979
Scott, D.W.; Osborn, A.G., Representation of vapor-pressure data, J. Phys. Chem., 1979, 83, 21, 2714-2723, https://doi.org/10.1021/j100484a007 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., High Symmetric Structure of the Gas Phase Ion Cluster X-..C6F6 (X = Cl, Br, I), J. Phys. Chem., 1987, 91, 20, 5294, https://doi.org/10.1021/j100304a032 . [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Nakajima, Taguwa, et al., 1993
Nakajima, A.; Taguwa, T.; Hoshino, K.; Sugioka, T.; Naganuma, T.; Ono, F.; Watanabe, K.; Nakao, K., Photoelectron Spectroscopy of (C6F6)n- and (Au-C6F6)- Clusters, Chem. Phys. Lett., 1993, 214, 1, 22, https://doi.org/10.1016/0009-2614(93)85449-X . [all data]

Hiraoka, Mizuse, et al., 1990
Hiraoka, K.; Mizuse, S.; Yamabe, S., Stabilities and Structures of C6F6-(C6F6) and C6F6+(C6F6), J. Phys. Chem., 1990, 94, 9, 3689, https://doi.org/10.1021/j100372a061 . [all data]

Hiraoka, Mizuse, et al., 1987, 2
Hiraoka, K.; Mizuse, S.; Yamabe, S., A Determination of the Stability and Structure of F-(C6H6) and F-(C6F6) Clusters, J. Chem. Phys., 1987, 86, 7, 4102, https://doi.org/10.1063/1.451920 . [all data]

Ho and Dunbar, 1999
Ho, Y.P.; Dunbar, R.C., Reactions of Au+ and Au- with benzene and fluorine-substituted benzenes, Int. J. Mass Spectrom., 1999, 183, 175-184, https://doi.org/10.1016/S1387-3806(98)14245-8 . [all data]

Ryzhov, 1999
Ryzhov, V., Binding Energies of Chromium Cations with Fluorobenzenes from Radiative Association Kinetics, Int. J. Mass Spectrom., 1999, 185/186/187, 913. [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]

Miller, Van Doren, et al., 2004
Miller, T.M.; Van Doren, J.M.; Viggiano, A.A., Electron attachment and detachment: C6F6, Int. J. Mass Spectrom., 2004, 233, 1-3, 67-73, https://doi.org/10.1016/j.ijms.2003.11.014 . [all data]

Dillow and Kebarle, 1989
Dillow, G.W.; Kebarle, P., Substituent Effects on the Electron Affinities of Perfluorobenzenes C6F5X, J. Am. Chem. Soc., 1989, 111, 15, 5592, https://doi.org/10.1021/ja00197a014 . [all data]

Eustis, Wang, et al., 2007
Eustis, S.N.; Wang, D.; Bowen, K.H.; Patwari, G.N., Photoelectron spectroscopy of hydrated hexafluorobenzene anions, J. Chem. Phys., 2007, 127, 11, 114312, https://doi.org/10.1063/1.2768349 . [all data]

Christophorou and Datkos, 1995
Christophorou, L.G.; Datkos, P.G., Effect of Temperature on the Formation and Autodestruction of Parent Anions, Int. J. Mass Spectrom. Ion Proc., 1995, 149/150, 59, https://doi.org/10.1016/0168-1176(95)04229-E . [all data]

Chen, Wiley, et al., 1994
Chen, E.C.M.; Wiley, J.R.; Batten, C.F.; Wentworth, W.E., Determination of the Electron Affinities of Molecules Using Negative Ion Mass Spectrometry, J. Phys. Chem., 1994, 98, 1, 88, https://doi.org/10.1021/j100052a016 . [all data]

Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S., Electron affinities and electron transfer reactions, Chem. Rev., 1987, 87, 513. [all data]

Wentworth, Limero, et al., 1987
Wentworth, W.E.; Limero, T.; Chen, E.C.M., Electron Affinities of Hexafluorobenzene and Pentafluorobenzene, J. Phys. Chem., 1987, 91, 1, 241, https://doi.org/10.1021/j100285a051 . [all data]

Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M., Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules, J. Chem. Phys., 1973, 59, 3182. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Maier and Thommen, 1981
Maier, J.P.; Thommen, F., Fluorescence quantum yields and lifetimes of fluorobenzene cations in selected levels of their B and C states determined by photoelectron-photoion coincidence spectroscopy, Chem. Phys., 1981, 57, 319. [all data]

Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F), J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]

Bastide, Hall, et al., 1979
Bastide, J.; Hall, D.; Heilbronner, E.; Maier, J.P., He(I«alpha») photoelectron spectra of some higher aromatic perfluoro compounds, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 205. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon «pi» electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Praet, Hubin-Franskin, et al., 1977
Praet, M-Th.; Hubin-Franskin, M.J.; Delwiche, J.P.; Schoos, R., Ionization and dissociation of C6F6 isomers under electron impact, Org. Mass Spectrom., 1977, 12, 297. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A., Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules, J. Am. Chem. Soc., 1972, 94, 1466. [all data]

Smith and Raymonda, 1971
Smith, D.R.; Raymonda, J.W., Rydberg states in fluorinated benzenes; hexa-, penta-, and mono- fluorobenzene, Chem. Phys. Lett., 1971, 12, 269. [all data]

Clark and Frost, 1967
Clark, I.D.; Frost, D.C., A study of the energy levels in benzene and some fluorobenzenes by photoelectron spectroscopy, J. Am. Chem. Soc., 1967, 89, 244. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Trudell and Price, 1979
Trudell, B.C.; Price, S.J.W., The ultraviolet photoelectron spectra of C6F5X compounds, X=(F, Cl, Br, I, H, CH3), Can. J. Chem., 1979, 57, 2256. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S., Angular distribution for the photoelectron spectra of benzene and hexafluorobenzene, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 187. [all data]

Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P., Inductive mesomeric effects on the «pi» orbitals of halobenzenes, Mol. Phys., 1973, 26, 1037. [all data]

Dibeler, Reese, et al., 1957
Dibeler, V.H.; Reese, R.M.; Mohler, F.L., Ionization and dissociation of hexafluorobenzene by electron impact, J. Chem. Phys., 1957, 26, 304. [all data]

Adams, Smith, et al., 1985
Adams, N.G.; Smith, D.; Alge, E., Anomalous temperature dependence of the coefficient of electron attachment to hexafluorobenzene, Chem. Phys. Lett., 1985, 116, 460. [all data]

Price and Sapiano, 1974
Price, S.J.W.; Sapiano, H.J., C6F5X bond dissociation energies: determination from appearance potential measurements and correlation with thermochemical data, Can. J. Chem., 1974, 52, 4109. [all data]

Majer and Patrick, 1962
Majer, J.R.; Patrick, C.R., Electron impact on some halogenated aromatic compounds, J. Chem. Soc. Faraday Trans., 1962, 58, 17. [all data]

Hitchcock, Fischer, et al., 1987
Hitchcock, H.P.; Fischer, P.; Gedanken, A.; Robin, M.B., Antibonding «alpha» valence MOs in the inner-shell and outer-shell spectra of the fluorobenzenes, J. Phys. Chem., 1987, 91, 531-540. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Müller, Dietrich, et al., 1983
Müller, U.; Dietrich, P.; Prescher, D., Gaschromatographische Untersuchungen an Perfluor-Carbonverbindungen. II. Zur Gaschromatographischen Trennung von Gemischen Längerkettiger Perfluoralkane und Perfluoralkene, J. Chromatogr., 1983, 259, 243-254, https://doi.org/10.1016/S0021-9673(01)88005-5 . [all data]

Vernon and Edwards, 1975
Vernon, F.; Edwards, G.T., Gas-liquid chromatography on fluorinated stationary phases. I. Hydrocarbons and fluorocarbons, J. Chromatogr., 1975, 110, 1, 73-80, https://doi.org/10.1016/S0021-9673(00)91212-3 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Zenkevich, 2008
Zenkevich, I.G., Experimental data, Personal communication, 2008. [all data]

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References