Chlorotrifluoromethane

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.


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Methyl cation + Chlorotrifluoromethane = (Methyl cation • Chlorotrifluoromethane)

By formula: CH3+ + CClF3 = (CH3+ • CClF3)

Quantity Value Units Method Reference Comment
Δr221.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

Iodine + Chlorotrifluoromethane = Methane, trifluoroiodo- + Iodine monochloride

By formula: I2 + CClF3 = CF3I + ClI

Quantity Value Units Method Reference Comment
Δr72.3 ± 1.1kJ/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 71.55 ± 0.71 kJ/mol; ALS

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Δr44.73 ± 0.63kJ/molEqkCoomber and Whittle, 1967gas phase; ALS

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, 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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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
IE (evaluated)12.6 ± 0.4eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)571.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity541.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
13. ± 1.PIZhang, Cooper, et al., 1991LL
13.08 ± 0.02PIKischlat and Morgner, 1985LBLHLM
12.60 ± 0.02PIWang and Leroi, 1983LBLHLM
12.45PIJochims, Lohr, et al., 1976LLK
12.39PIAjello, Huntress, et al., 1976LLK
12.39PINoutary, 1968RDSH
12.91 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
13.08 ± 0.01PEJadrny, Karlsson, et al., 1977Vertical value; LLK
13.10PEUehara, Saito, et al., 1973Vertical value; LLK
13.0PEDoucet, Sauvageau, et al., 1973Vertical value; LLK
13.08 ± 0.02PECradock, Ebsworth, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+33. ± 1.3F+ClPIZhang, Cooper, et al., 1991LL
C+31. ± 1.?EIDibeler, Reese, et al., 1956RDSH
CCl+28. ± 1.?PIZhang, Cooper, et al., 1991LL
CFCl+15. ± 1.?PIZhang, Cooper, et al., 1991LL
CFCl+14.0 ± 0.3FPIPowis, 1980LLK
CFCl+19.8 ± 0.2F2PISchenk, Oertel, et al., 1979LLK
CFCl+14.25FPIJochims, Lohr, et al., 1976LLK
CF2Cl+15. ± 1.FPIZhang, Cooper, et al., 1991LL
CF2Cl+16.15FEILeyland, Majer, et al., 1970RDSH
CF2Cl+15.0 ± 0.4FEIDibeler, Reese, et al., 1956RDSH
CF+24. ± 1.2F+ClPIZhang, Cooper, et al., 1991LL
CF+20.3 ± 0.1Cl+F2PISchenk, Oertel, et al., 1979LLK
CF+22.6 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF2+19. ± 1.F+ClPIZhang, Cooper, et al., 1991LL
CF2+16.0 ± 0.1F+Cl(-)PISchenk, Oertel, et al., 1979LLK
CF2+18.85 ± 0.05F+ClPISchenk, Oertel, et al., 1979LLK
CF2+15.9 ± 0.3F(-)+ClPISchenk, Oertel, et al., 1979LLK
CF2+18.85F+ClPIJochims, Lohr, et al., 1976LLK
CF2+18.84F+ClPIAjello, Huntress, et al., 1976LLK
CF2+20. ± 1.?EIDibeler, Reese, et al., 1956RDSH
CF3+13. ± 1.ClPIZhang, Cooper, et al., 1991LL
CF3+12.55ClPIJochims, Lohr, et al., 1976LLK
CF3+12.65ClPIAjello, Huntress, et al., 1976LLK
CF3+12.63ClPINoutary, 1968RDSH
Cl+20. ± 1.CF2+FPIZhang, Cooper, et al., 1991LL
Cl+19.7 ± 0.1CF3PISchenk, Oertel, et al., 1979LLK
Cl+21. ± 1.?EIDibeler, Reese, et al., 1956RDSH
F+34. ± 1.C+F2+ClPIZhang, Cooper, et al., 1991LL
F+31. ± 1.?EIDibeler, Reese, et al., 1956RDSH

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl, Trans. Faraday Soc., 1967, 63, 2656-2667. [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]

Zhang, Cooper, et al., 1991
Zhang, W.; Cooper, G.; Ibuki, T.; Brion, C.E., Excitation and ionization of freon molecules. II. Absolute oscillator strengths for the photoabsorption (7.5-200 eV) and the ionic photofragmentation (12.5-80 eV) of CF3Cl, Chem. Phys., 1991, 151, 343. [all data]

Kischlat and Morgner, 1985
Kischlat, W.; Morgner, H., Comparative study of He(23S)-penning ionization and He(I) photoionization of CF4, CCl4, and the chlorofluoromethanes by electron-ion coincidence, J. Electron Spectrosc. Relat. Phenom., 1985, 35, 273. [all data]

Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E., Photoionization and fragmentation of halogenated methanes, Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]

Jochims, Lohr, et al., 1976
Jochims, H.-W.; Lohr, W.; Baumgartel, H., Photoreactions of small organic molecules V. Absorption-, photoion- and resonancephotoelectron-spectra of CF3Cl, CF2Cl2, CFCl3 in the energy range 10-25 eV, Ber. Bunsen-Ges. Phys. Chem., 1976, 80, 130. [all data]

Ajello, Huntress, et al., 1976
Ajello, J.M.; Huntress, W.T., Jr.; Rayermann, P., A photoionization mass spectrometer study of CFCl3, CF2Cl2 and CF3Cl, J. Chem. Phys., 1976, 64, 4746. [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Jadrny, Karlsson, et al., 1977
Jadrny, R.; Karlsson, L.; Mattsson, L.; Siegbahn, K., Valence electron spectra of the chlorofluoromethanes CF3Cl, CF2Cl2 and CFCl3, Phys. Scr., 1977, 16, 235. [all data]

Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T., Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods, Chem. Lett., 1973, 495. [all data]

Doucet, Sauvageau, et al., 1973
Doucet, J.; Sauvageau, P.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoro-chloro derivatives of methane, J. Chem. Phys., 1973, 58, 3708. [all data]

Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A., Photoelectron spectra of some simple fluorosilanes, J. Chem. Soc. Dalton Trans., 1973, 22, 2401. [all data]

Dibeler, Reese, et al., 1956
Dibeler, V.H.; Reese, R.M.; Mohler, F.L., Ionization and dissociation of the trifluoromethyl halides by electron impact, J. Res. NBS, 1956, 57, 113. [all data]

Powis, 1980
Powis, I., The dissociation of state-selected CF3X+ molecular ions, Mol. Phys., 1980, 39, 311. [all data]

Schenk, Oertel, et al., 1979
Schenk, H.; Oertel, H.; Baumgartel, H., Photoreactions of small organic molecules VII Photoionization studies on the ion-pair formation of the fluorochloromethanes CF2Cl2, CF3Cl, and CFCl3, Ber. Bunsen-Ges. Phys. Chem., 1979, 83, 683. [all data]

Leyland, Majer, et al., 1970
Leyland, L.M.; Majer, J.R.; Robb, J.C., Heat of formation of the CF2Cl. radical, J. Chem. Soc. Faraday Trans., 1970, 66, 898. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References