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Fluoroform

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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-166.60kcal/molReviewChase, 1998Data last reviewed in June, 1969
Deltafgas-165.1kcal/molEqkGoy, Lord, et al., 1967ALS
Deltafgas-166.21 ± 0.65kcal/molCcrNeugebauer and Margrave, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -162.60 ± 0.65 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacgas-17.10 ± 0.17kcal/molEqkGoy, Lord, et al., 1967ALS
Deltacgas-123.4kcal/molCcrNeugebauer and Margrave, 1957ALS
Quantity Value Units Method Reference Comment
gas,1 bar62.058cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

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 1.54486024.02849
B 44.319600.940877
C -33.67280-0.180932
D 9.5241900.012059
E 0.015419-3.230600
F -168.7010-181.5140
G 52.2126980.40559
H -166.6000-166.6000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

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
liquid36.099cal/mol*KN/AValentine, Brodale, et al., 1962 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
20.66190.97Valentine, Brodale, et al., 1962T = 15 to 190.97 K.

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
MS - José A. Martinho Simões
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

CF3- + Hydrogen cation = Fluoroform

By formula: CF3- + H+ = CHF3

Quantity Value Units Method Reference Comment
Deltar378.0 ± 1.4kcal/molD-EADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar377.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar376.0 ± 4.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar370.3 ± 1.5kcal/molH-TSDeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar369.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B

CN- + Fluoroform = (CN- bullet Fluoroform)

By formula: CN- + CHF3 = (CN- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Chlorine anion + Fluoroform = (Chlorine anion bullet Fluoroform)

By formula: Cl- + CHF3 = (Cl- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar16.7 ± 2.4kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar9.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Fluorine anion + Fluoroform = (Fluorine anion bullet Fluoroform)

By formula: F- + CHF3 = (F- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

C8H5- + Fluoroform = C9H6F3-

By formula: C8H5- + CHF3 = C9H6F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B

C2H- + Fluoroform = C3H2F3-

By formula: C2H- + CHF3 = C3H2F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C9H7- + Fluoroform = C10H8F3-

By formula: C9H7- + CHF3 = C10H8F3-

Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar9.9 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B

C2H5O- + Fluoroform = C3H6F3O-

By formula: C2H5O- + CHF3 = C3H6F3O-

Quantity Value Units Method Reference Comment
Deltar22.0 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

CH3O- + Fluoroform = C2H4F3O-

By formula: CH3O- + CHF3 = C2H4F3O-

Quantity Value Units Method Reference Comment
Deltar23.5 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C3H7O- + Fluoroform = C4H8F3O-

By formula: C3H7O- + CHF3 = C4H8F3O-

Quantity Value Units Method Reference Comment
Deltar21.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar14.2 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C4H9+ + Fluoroform = (C4H9+ bullet Fluoroform)

By formula: C4H9+ + CHF3 = (C4H9+ bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar6.8kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5O5W (g) + Fluoroform (g) = C6HF3O5W (g)

By formula: C5O5W (g) + CHF3 (g) = C6HF3O5W (g)

Quantity Value Units Method Reference Comment
Deltar<-5.00kcal/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

Iodide + Fluoroform = (Iodide bullet Fluoroform)

By formula: I- + CHF3 = (I- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Fluoroform + Bromine = Hydrogen bromide + Bromotrifluoromethane

By formula: CHF3 + Br2 = HBr + CBrF3

Quantity Value Units Method Reference Comment
Deltar-3.3kcal/molEqkCorbett, Tarr, et al., 1963gas phase; At 298 K; ALS

Hydrogen bromide + Bromotrifluoromethane = Fluoroform + Bromine

By formula: HBr + CBrF3 = CHF3 + Br2

Quantity Value Units Method Reference Comment
Deltar4.59 ± 0.25kcal/molEqkCoomber and Whittle, 1967gas 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]

Goy, Lord, et al., 1967
Goy, C.A.; Lord, A.; Pritchard, H.O., Kinetics and thermodynamics of the reaction between iodine and fluoroform and the heat of formation of trifluoromethyl iodide, J. Phys. Chem., 1967, 71, 1086-1089. [all data]

Neugebauer and Margrave, 1957
Neugebauer, C.A.; Margrave, J.L., Heats of formation of the fluoromethanes and fluoroethylenes, Tech. Rept., 1957, 1-45. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Valentine, Brodale, et al., 1962
Valentine, R.H.; Brodale, G.E.; Giauque, W.F., Trifluoromethane: entropy, low temperature heat capacity, heats of fusion and vaporization, and vapor pressure, J. Phys. Chem., 1962, 66, 392-395. [all data]

Deyerl, Alconcel, et al., 2001
Deyerl, H.J.; Alconcel, L.S.; Continetti, R.E., Photodetachment imaging studies of the electron affinity of CF3, J. Phys. Chem. A, 2001, 105, 3, 552-557, https://doi.org/10.1021/jp003137k . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R., Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2, J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [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]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]

Chabinyc and Brauman, 1998
Chabinyc, M.L.; Brauman, J.I., Acidity, basicity, and the stability of hydrogen bonds: Complexes of RO-+HCF3, J. Am. Chem. Soc., 1998, 120, 42, 10863-10870, https://doi.org/10.1021/ja9817592 . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Corbett, Tarr, et al., 1963
Corbett, P.; Tarr, A.M.; Whittle, E., Vapour-phase bromination of fluoroform and methane, Trans. Faraday Soc., 1963, 59, 1609. [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br), Trans. Faraday Soc., 1967, 63, 608-619. [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