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Difluorochloromethane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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
Deltafgas-115.10kcal/molReviewChase, 1998Data last reviewed in June, 1970
Deltafgas-115.4 ± 0.7kcal/molKinEdwards and Small, 1965Corrected for CODATA value of «DELTA»fH; ALS
Quantity Value Units Method Reference Comment
gas,1 bar67.151cal/mol*KReviewChase, 1998Data 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. - 1200.1200. - 6000.
A 6.05513024.15939
B 36.080310.870842
C -27.75889-0.167207
D 7.9788100.011132
E -0.081033-2.742532
F -118.5520-128.9070
G 64.4286187.17839
H -115.1000-115.1000
ReferenceChase, 1998Chase, 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, 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
liquid43.000cal/mol*KN/ANeilson and White, 1957 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
22.23232.50Neilson and White, 1957T = 16 to 230 K.
27.271298.15Benning, McHarness, et al., 1940T = 256 to 328 K. Data calculated from equation.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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- + Hydrogen cation = Difluorochloromethane

By formula: CClF2- + H+ = CHClF2

Quantity Value Units Method Reference Comment
Deltar>374.71kcal/molAcidPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Deltar378.3 ± 7.0kcal/molD-EADispert and Lacmann, 1978gas phase; From CF2Cl2; B
Quantity Value Units Method Reference Comment
Deltar>366.96 ± 0.89kcal/molH-TSPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Deltar370.5 ± 7.1kcal/molH-TSDispert and Lacmann, 1978gas phase; From CF2Cl2; B

Chlorine anion + Difluorochloromethane = (Chlorine anion bullet Difluorochloromethane)

By formula: Cl- + CHClF2 = (Cl- bullet CHClF2)

Quantity Value Units Method Reference Comment
Deltar17.2 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.0cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

2Difluorochloromethane = Ethene, tetrafluoro- + 2Hydrogen chloride

By formula: 2CHClF2 = C2F4 + 2HCl

Quantity Value Units Method Reference Comment
Deltar29.06kcal/molKinEdwards and Small, 1965gas phase; Corrected for CODATA value of «DELTA»fH; ALS

2Fluorodichloromethane = Trichloromethane + Difluorochloromethane

By formula: 2CHCl2F = CHCl3 + CHClF2

Quantity Value Units Method Reference Comment
Deltar-3.39 ± 0.48kcal/molEqkHess and Kemnitz, 1992gas phase; Gas Phase; ALS

2Difluorochloromethane = Fluorodichloromethane + Fluoroform

By formula: 2CHClF2 = CHCl2F + CHF3

Quantity Value Units Method Reference Comment
Deltar-3.39 ± 0.48kcal/molEqkHess and Kemnitz, 1992gas phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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, References