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Boron trifluoride

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Gas 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.

Quantity Value Units Method Reference Comment
Deltafgas-271.5 ± 0.2kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas-271.420kcal/molReviewChase, 1998Data last reviewed in June, 1969
Quantity Value Units Method Reference Comment
gas,1 bar60.808 ± 0.048cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar60.791cal/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. - 1000.1000. - 6000.
A 5.08755119.41610
B 31.142590.262029
C -26.28870-0.054214
D 8.1951200.003820
E -0.017540-1.521660
F -274.1640-281.2541
G 58.6609978.40220
H -271.4199-271.4199
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

Reaction 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 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. 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

Fluorine anion + Boron trifluoride = (Fluorine anion bullet Boron trifluoride)

By formula: F- + BF3 = (F- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar82. ± 20.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar63.6 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

Chlorine anion + Boron trifluoride = (Chlorine anion bullet Boron trifluoride)

By formula: Cl- + BF3 = (Cl- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar26.0 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar19.3 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M

CH3O- + Boron trifluoride = (CH3O- bullet Boron trifluoride)

By formula: CH3O- + BF3 = (CH3O- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar>22.0 ± 2.0kcal/molIMRBBlair, Isolani, et al., 1973gas phase; MeOH..MeO- + BF3 ->. Computations indicate dHaff ca. 80 kcal/mol; B

References

Go To: Top, Gas 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.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Blair, Isolani, et al., 1973
Blair, L.K.; Isolani, P.C.; Riveros, J.M., Formation, reactivity, and relative stability of clustered alkoxide ions by ICR spectroscopy, J. Am. Chem. Soc., 1973, 95, 1057. [all data]


Notes

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