Dichlorodifluoromethane

Formula: CCl₂F₂
Molecular weight: 120.914
IUPAC Standard InChI: InChI=1S/CCl2F2/c2-1(3,4)5
IUPAC Standard InChIKey: PXBRQCKWGAHEHS-UHFFFAOYSA-N
CAS Registry Number: 75-71-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Methane, dichlorodifluoro-; Algofrene Type 2; Arcton 12; Arcton 6; Chlorofluoromethane (CCl2F2); Difluorodichloromethane; Electro-CF 12; F 12; Freon 12; Frigen 12; FC 12; Genetron 12; Isceon 122; Isotron 12; Ledon 12; R 12; R 12, Refrigerant; Refrigerant 12; CF2Cl2; Fluorocarbon 12; Propellant 12; Dwuchlorodwufluorometan; Eskimon 12; Freon F-12; Kaiser chemicals 12; Rcra waste number U075; Ucon 12; Ucon 12/halocarbon 12; UN 1028; CCl2F2; Halon 122; CFC-12; Halocarbon 12; Isotron 2; Propellent 12; Refrigerant R12; Chlorofluorocarbon 12; Dymel 12; FCC 12; FKW 12; Forane 12
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
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
B - John E. Bartmess

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	12.0 ± 0.2	eV	N/A	N/A	L

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.40 ± 0.20	NBIE	Dispert and Lacmann, 1978	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
12.26 ± 0.02	PI	Kischlat and Morgner, 1985	LBLHLM
11.87 ± 0.02	PI	Wang and Leroi, 1983	LBLHLM
11.75	PI	Jochims, Lohr, et al., 1976	LLK
11.75 ± 0.04	PI	Ajello, Huntress, et al., 1976	LLK
12.31 ± 0.05	PI	Watanabe, Nakayama, et al., 1962	RDSH
11.7 ± 0.5	EI	Baker and Tate, 1938	RDSH
12.24 ± 0.01	PE	Jadrny, Karlsson, et al., 1977	Vertical value; LLK
12.3	PE	Doucet, Sauvageau, et al., 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	22.	?	EI	Zayats, Perov, et al., 1985	LBLHLM
C⁺	26.5 ± 1.0	?	EI	Baker and Tate, 1938	RDSH
CCl⁺	14.8 ± 0.2	FCl+F(^-)	PI	Schenk, Oertel, et al., 1979	LLK
CCl⁺	17.0 ± 0.5	?	EI	Baker and Tate, 1938	RDSH
CFCl⁺	10.60 ± 0.02	Cl(^-)	PI	Schenk, Oertel, et al., 1979	LLK
CFCl⁺	15.2 ± 0.3	F(^-)+Cl	PI	Schenk, Oertel, et al., 1979	LLK
CFCl⁺	11.99	Cl	EI	Ajello, Huntress, et al., 1976	LLK
CFCl⁺	17.76	F(^-)+Cl	PI	Ajello, Huntress, et al., 1976	LLK
CFCl⁺	18.1 ± 0.2	F(^-)+Cl	EI	Baker and Tate, 1938	RDSH
CF₂Cl⁺	12.55	Cl	EI	Leyland, Majer, et al., 1970	RDSH
CF₂Cl⁺	12.8 ± 0.2	Cl	EI	Baker and Tate, 1938	RDSH
CFCl₂⁺	12.07 ± 0.05	F(^-)	PI	Schenk, Oertel, et al., 1979	LLK
CFCl₂⁺	13.30 ± 0.05	F	PI	Schenk, Oertel, et al., 1979	LLK
CFCl₂⁺	14.15	F	PI	Jochims, Lohr, et al., 1976	LLK
CFCl₂⁺	13.81	F	PI	Ajello, Huntress, et al., 1976	LLK
CFCl₂⁺	15.4 ± 0.2	F	EI	Baker and Tate, 1938	RDSH
CF⁺	15.3 ± 0.3	Cl₂+F(^-)	PI	Schenk, Oertel, et al., 1979	LLK
CF⁺	17.65	F+Cl₂	PI	Jochims, Lohr, et al., 1976	LLK
CF⁺	20.20	F⁺²Cl	PI	Jochims, Lohr, et al., 1976	LLK
CF⁺	19.5 ± 0.5	?	EI	Baker and Tate, 1938	RDSH
CF₂⁺	14.9 ± 0.3	Cl₂	PI	Schenk, Oertel, et al., 1979	LLK
CF₂⁺	17.22	2Cl	PI	Jochims, Lohr, et al., 1976	LLK
CF₂⁺	16.98	2Cl	PI	Ajello, Huntress, et al., 1976	LLK
CF₂⁺	18.1 ± 0.2	?	N/A	Baker and Tate, 1938	RDSH
Cl⁺	16.	?	EI	Zayats, Perov, et al., 1985	LBLHLM
Cl⁺	16.4 ± 0.2	CFCl₂(^-)	PI	Schenk, Oertel, et al., 1979	LLK
Cl⁺	21.0 ± 0.2	?	EI	Baker and Tate, 1938	RDSH
Cl₂⁺	15.4 ± 0.1	CF₂	PI	Schenk, Oertel, et al., 1979	LLK
Cl₂⁺	16.7 ± 1.0	?	EI	Baker and Tate, 1938	RDSH
F⁺	21.	?	EI	Zayats, Perov, et al., 1985	LBLHLM
F⁺	25.6 ± 0.2	CF(^-)⁺²Cl	PI	Schenk, Oertel, et al., 1979	LLK
F⁺	31.5 ± 0.5	?	EI	Baker and Tate, 1938	RDSH
F₂⁺	16.0 ± 1.0	?	EI	Baker and Tate, 1938	RDSH

References

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

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [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]

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]

Baker and Tate, 1938
Baker, R.F.; Tate, J.T., Ionization and dissociation by electron impact in CCl₂F₂ and in CCl₄ vapor, Phys. Rev., 1938, 53, 683. [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]

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]

Zayats, Perov, et al., 1985
Zayats, A.Yu.; Perov, A.A.; Simonov, A.P., Formation of long-lived Rydberg atoms upon excitation of NF₃ and CF₂Cl₂ molecules by electron impact, Sov. J. Chem. Phys., 1985, 2, 1906. [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, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy

EA Electron affinity

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
EA	Electron affinity
IE (evaluated)	Recommended ionization energy