Chlorotrifluoromethane
- Formula: CClF3
- Molecular weight: 104.459
- IUPAC Standard InChIKey: AFYPFACVUDMOHA-UHFFFAOYSA-N
- CAS Registry Number: 75-72-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Monochlorotrifluoromethane; Methane, chlorotrifluoro-; Arcton 3; F 13; Freon 13; FC 13; Genetron 13; R 13; Trifluorochloromethane; Trifluoromethyl chloride; Trifluoromonochlorocarbon; CF3Cl; Halocarbon 13/ucon 13; UN 1022; CClF3; Frigen 13; Refrigerant 13; CFC-13; Chlorotrifluromethane; Halocarbon 13; Khladon 13
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Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00088 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00094 | 1600. | L | N/A | |
0.00058 | V | N/A |
Gas phase ion energetics data
Go To: Top, Henry's Law 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 ± 0.4 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 571.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 541.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13. ± 1. | PI | Zhang, Cooper, et al., 1991 | LL |
13.08 ± 0.02 | PI | Kischlat and Morgner, 1985 | LBLHLM |
12.60 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
12.45 | PI | Jochims, Lohr, et al., 1976 | LLK |
12.39 | PI | Ajello, Huntress, et al., 1976 | LLK |
12.39 | PI | Noutary, 1968 | RDSH |
12.91 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
13.08 ± 0.01 | PE | Jadrny, Karlsson, et al., 1977 | Vertical value; LLK |
13.10 | PE | Uehara, Saito, et al., 1973 | Vertical value; LLK |
13.0 | PE | Doucet, Sauvageau, et al., 1973 | Vertical value; LLK |
13.08 ± 0.02 | PE | Cradock, Ebsworth, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
References
Go To: Top, Henry's Law 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.
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, Henry's Law data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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