Difluorochloromethane
- Formula: CHClF2
- Molecular weight: 86.468
- IUPAC Standard InChIKey: VOPWNXZWBYDODV-UHFFFAOYSA-N
- CAS Registry Number: 75-45-6
- 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: Methane, chlorodifluoro-; Algeon 22; Algofrene Type 6; Arcton 4; Chlorodifluoromethane; Difluoromonochloromethane; Electro-CF 22; F 22; Freon 22; Frigen 22; FC 22; Genetron 22; Isotron 22; Monochlorodifluoromethane; R 22; Ucon 22; CHF2Cl; Algofrene 22; Arcton 22; CFC 22; Daiflon 22; Dymel 22; Eskimon 22; Flugene 22; Fluorocarbon-22; Forane 22; Frigen; Haltron 22; Isceon 22; Khaladon 22; Monochlorodifluormethane; Propellant 22; Refrigerant 22; UN 1018; CHClF2; Algofrene 6; Khladon 22; Flon 22; F 22 (halocarbon); FKW 22; HCFC 22; HFA-22; Refrigerant R 22; Methane, difluoro chloro
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Gas phase ion energetics data
Go To: Top, 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:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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) | 12.28 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.28 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
12.1 | PE | Novak, Cvitas, et al., 1981 | LLK |
12.45 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
12.56 | PE | Novak, Cvitas, et al., 1981 | Vertical value; LLK |
12.6 | PE | Doucet, Sauvageau, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CFCl+ | 15.9 ± 0.3 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CF+ | 17. ± 0. | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CF2+ | 16.1 ± 0.3 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CHFCl+ | 15.11 ± 0.15 | F | EI | Hobrock and Kiser, 1964 | RDSH |
CHF2+ | 12.59 ± 0.15 | Cl | EI | Hobrock and Kiser, 1964 | RDSH |
Cl+ | 20.5 ± 0.3 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
De-protonation reactions
CClF2- + =
By formula: CClF2- + H+ = CHClF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >374.71 | kcal/mol | Acid | Paulino and Squires, 1991 | gas phase; Probably CF2..Cl-, non-covalent.; B |
ΔrH° | 378.3 ± 7.0 | kcal/mol | D-EA | Dispert and Lacmann, 1978 | gas phase; From CF2Cl2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | >366.96 ± 0.89 | kcal/mol | H-TS | Paulino and Squires, 1991 | gas phase; Probably CF2..Cl-, non-covalent.; B |
ΔrG° | 370.5 ± 7.1 | kcal/mol | H-TS | Dispert and Lacmann, 1978 | gas phase; From CF2Cl2; B |
References
Go To: Top, 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.
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]
Novak, Cvitas, et al., 1981
Novak, I.; Cvitas, T.; Klasinc, L.; Gusten, H.,
Photoelectron spectra of some halogenomethanes,
J. Chem. Soc. Faraday Trans. 2, 1981, 77, 2049. [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]
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]
Hobrock and Kiser, 1964
Hobrock, D.L.; Kiser, R.W.,
Electron impact studies of some trihalomethanes: trichloromethane, dichlorofluoro-methane, chlorodifluoromethane, and trifluoromethane,
J. Phys. Chem., 1964, 68, 575. [all data]
Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R.,
Carbene Anion Complexes - Unusual Structural and Thermochemical Features of alpha-Halocarbanions in the Gas Phase,
J. Am. Chem. Soc., 1991, 113, 5, 1845, https://doi.org/10.1021/ja00005a067
. [all data]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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