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, Ion clustering data, Mass spectrum (electron ionization), 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 |
Ion clustering data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
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
By formula: Cl- + CHClF2 = (Cl- • CHClF2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
NIST MS number | 624 |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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 ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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