Difluorochloromethane

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Condensed phase thermochemistry 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: 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.

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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.24 CN/AThe 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 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0313400.XN/A 
0.0343400.LN/A 
0.034 VN/A 

Gas phase ion energetics 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 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 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
12.28 ± 0.02PIWang and Leroi, 1983LBLHLM
12.1PENovak, Cvitas, et al., 1981LLK
12.45 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
12.56PENovak, Cvitas, et al., 1981Vertical value; LLK
12.6PEDoucet, Sauvageau, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CFCl+15.9 ± 0.3?EIHobrock and Kiser, 1964RDSH
CF+17. ± 0.?EIHobrock and Kiser, 1964RDSH
CF2+16.1 ± 0.3?EIHobrock and Kiser, 1964RDSH
CHFCl+15.11 ± 0.15FEIHobrock and Kiser, 1964RDSH
CHF2+12.59 ± 0.15ClEIHobrock and Kiser, 1964RDSH
Cl+20.5 ± 0.3?EIHobrock and Kiser, 1964RDSH

De-protonation reactions

CClF2- + Hydrogen cation = Difluorochloromethane

By formula: CClF2- + H+ = CHClF2

Quantity Value Units Method Reference Comment
Δr>374.71kcal/molAcidPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Δr378.3 ± 7.0kcal/molD-EADispert and Lacmann, 1978gas phase; From CF2Cl2; B
Quantity Value Units Method Reference Comment
Δr>366.96 ± 0.89kcal/molH-TSPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Δr370.5 ± 7.1kcal/molH-TSDispert and Lacmann, 1978gas phase; From CF2Cl2; B

References

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, 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.

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]

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

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