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 thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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 compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -115.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
ΔfH°gas | -115.4 ± 0.7 | kcal/mol | Kin | Edwards and Small, 1965 | Corrected for CODATA value of ΔfH; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 67.151 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 6.055130 | 24.15939 |
B | 36.08031 | 0.870842 |
C | -27.75889 | -0.167207 |
D | 7.978810 | 0.011132 |
E | -0.081033 | -2.742532 |
F | -118.5520 | -128.9070 |
G | 64.42861 | 87.17839 |
H | -115.1000 | -115.1000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1970 | Data last reviewed in June, 1970 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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 compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 43.000 | cal/mol*K | N/A | Neilson and White, 1957 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.23 | 232.50 | Neilson and White, 1957 | T = 16 to 230 K. |
27.271 | 298.15 | Benning, McHarness, et al., 1940 | T = 256 to 328 K. Data calculated from equation. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 compiled as indicated in comments:
B - John E. Bartmess
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
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 |
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 |
By formula: 2CHClF2 = C2F4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.06 | kcal/mol | Kin | Edwards and Small, 1965 | gas phase; Corrected for CODATA value of ΔfH; ALS |
By formula: 2CHCl2F = CHCl3 + CHClF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.39 ± 0.48 | kcal/mol | Eqk | Hess and Kemnitz, 1992 | gas phase; Gas Phase; ALS |
By formula: 2CHClF2 = CHCl2F + CHF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.39 ± 0.48 | kcal/mol | Eqk | Hess and Kemnitz, 1992 | gas phase; ALS |
Henry's Law data
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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 |
---|---|---|---|---|
0.24 | C | N/A | The temperature dependence (after a unit conversion) is given as: kH = exp(-8.689 + 205.9 / (T - 255.1)) * 11.7 M/atm. This can obviously only be valid for T >> 255.1 K. | |
0.033 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.031 | 3400. | X | N/A | |
0.034 | 3400. | L | N/A | |
0.034 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Edwards and Small, 1965
Edwards, J.W.; Small, P.A.,
Kinetics of the pyrolysis of chlorodifluoromethane,
Ind. Eng. Chem. Fundam., 1965, 4, 396-400. [all data]
Neilson and White, 1957
Neilson, E.F.; White, D.,
The heat capacity, heat of fusion, heat of transition and heat of vaporization of chlorodifluoromethane between 16°K and the boiling point,
J. Am. Chem. Soc., 1957, 79, 5618-5621. [all data]
Benning, McHarness, et al., 1940
Benning, A.F.; McHarness, R.C.; Markwood, W.H., Jr.; Smith, W.J.,
Thermodynamic properties of fluorochloromethanes and -ethanes. Heat capacity of the liquid and vapor of three fluorochloromethanes and trifluorotrichloroethane,
Ind. and Eng. Chem., 1940, 32, 976-980. [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]
Hess and Kemnitz, 1992
Hess, A.; Kemnitz, E.,
Heterogeneously catalyzed dismutation and conmutation reactions of CHCl3-nFnchlorofluorocarbons. A kinetic study,
Appl. Catal. A:, 1992, 82, 247-257. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions 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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