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Boron trichloride

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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-402.96kJ/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar290.17J/mol*KReviewChase, 1998Data last reviewed in December, 1964

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 700.700. - 6000.
A 35.2897082.15702
B 137.50720.644587
C -157.7067-0.146435
D 66.772040.011063
E -0.146399-2.805340
F -418.8268-435.9100
G 297.4736376.3052
H -402.9615-402.9615
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tc0.KN/AParker and Robinson, 1927TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
181.7 - 285.93.95145973.995-38.994Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: John E. Bartmess

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 trichloride = (Fluorine anion bullet Boron trichloride)

By formula: F- + BCl3 = (F- bullet BCl3)

Quantity Value Units Method Reference Comment
Deltar>360. ± 42.kJ/molIMRBHaartz and McDaniel, 1973gas phase; Greater than PF5 ( Larson and McMahon, 1985)
Deltar>169.5kJ/molTherStockdale, Nelson, et al., 1972gas phase; Fluoride Affinity: > SF5; new value of latter from Grimsrud, Chowdhury, et al., 1985
Quantity Value Units Method Reference Comment
Deltar>310. ± 42.kJ/molIMRBHaartz and McDaniel, 1973gas phase; Greater than PF5 ( Larson and McMahon, 1985)

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

By formula: Cl- + BCl3 = (Cl- bullet BCl3)

Quantity Value Units Method Reference Comment
Deltar289. ± 8.4kJ/molTherKrivtsov, Titova, et al., 1977gas phase; Halide affinities from this reference are too high. G3MP2B3 calculations indicate an dHaff ca. 46 kcal/mol; value altered from reference due to conversion from electron convention to ion convention

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.33 ± 0.20NBIERothe, Mathur, et al., 1980B

Ionization energy determinations

IE (eV) Method Reference Comment
11.64 ± 0.02PEBassett and Lloyd, 1971LLK
11.60 ± 0.02PIDibeler and Walker, 1969RDSH
11.62PEKing, Krishnamurthy, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+19.5 ± 0.2?EIKoski, Kaufman, et al., 1959RDSH
B+18.4 ± 0.2?EIMarriott and Craggs, 1957RDSH
B+19.5 ± 1.0?EILaw and Margrave, 1956RDSH
BCl+18.37 ± 0.022Cl?PIDibeler and Walker, 1969RDSH
BCl2+12.30 ± 0.02ClPIDibeler and Walker, 1969RDSH

Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

By formula: Cl- + BCl3 = (Cl- bullet BCl3)

Quantity Value Units Method Reference Comment
Deltar289. ± 8.4kJ/molTherKrivtsov, Titova, et al., 1977gas phase; Halide affinities from this reference are too high. G3MP2B3 calculations indicate an dHaff ca. 46 kcal/mol; value altered from reference due to conversion from electron convention to ion convention

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

By formula: F- + BCl3 = (F- bullet BCl3)

Quantity Value Units Method Reference Comment
Deltar>360. ± 42.kJ/molIMRBHaartz and McDaniel, 1973gas phase; Greater than PF5 ( Larson and McMahon, 1985)
Deltar>169.5kJ/molTherStockdale, Nelson, et al., 1972gas phase; Fluoride Affinity: > SF5; new value of latter from Grimsrud, Chowdhury, et al., 1985
Quantity Value Units Method Reference Comment
Deltar>310. ± 42.kJ/molIMRBHaartz and McDaniel, 1973gas phase; Greater than PF5 ( Larson and McMahon, 1985)

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin CCC 0021
NIST MS number 1998

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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]

Parker and Robinson, 1927
Parker, T.W.; Robinson, P.L., Critical Temperatures of Boron Trichloride and Silicon Tetrachloride., J. Chem. Soc., 1927, 1927, 2977-81. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Haartz and McDaniel, 1973
Haartz, J.C.; McDaniel, D.H., Fluoride ion affinity of some lewis acids, J. Am. Chem. Soc., 1973, 95, 8562. [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]

Stockdale, Nelson, et al., 1972
Stockdale, J.A.D.; Nelson, D.R.; Davis, F.J.; Compton, R.N., Studies of electron impact excitation, negative ion formation, and negative ion-molecule reactions in boron trifluoride and boron trichloride, J. Chem. Phys., 1972, 56, 3336. [all data]

Grimsrud, Chowdhury, et al., 1985
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Electron affinity of SF6 and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A- + B- + A, where A = SF6 or perfluorinated cycloalkanes, J. Chem. Phys., 1985, 83, 1059. [all data]

Krivtsov, Titova, et al., 1977
Krivtsov, N.V.; Titova, K.V.; Rosolovskii, V.Ya., Thermochemical study of complex borates, Russ. J. Inorg. Chem., 1977, 22, 374. [all data]

Rothe, Mathur, et al., 1980
Rothe, E.W.; Mathur, B.P.; Reck, G.P., Measurement of boron trihalide electron affinites: Correlation with boron-nitrogen adduct strengths, Inorg. Chem., 1980, 19, 829. [all data]

Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part II.High-resolution spectra of the boron trihalides, J. Chem. Soc., 1971, (A), 1551. [all data]

Dibeler and Walker, 1969
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of photoionization. XIII.Boron trichloride and diborontetrachloride, Inorg. Chem., 1969, 8, 50. [all data]

King, Krishnamurthy, et al., 1972
King, G.H.; Krishnamurthy, S.S.; Lappert, M.F.; Pedley, J.B., Bonding studies of compounds of boron and the Group 4 elements. Part 9. Photoelectron spectra and bonding studies of halogeno-, dimethylamino-, and methyl-boranes, BX3 and BX2Y, Faraday Discuss. Chem. Soc., 1972, 54, 70. [all data]

Koski, Kaufman, et al., 1959
Koski, W.S.; Kaufman, J.J.; Pachucki, C.F., A mass spectroscopic appearance potential study of some boron trihalides, J. Am. Chem. Soc., 1959, 81, 1326. [all data]

Marriott and Craggs, 1957
Marriott, J.; Craggs, J.D., Ionization and dissociation by electron impact. II. Boron trifluoride and boron trichloride, J. Electron. Control, 1957, 3, 194. [all data]

Law and Margrave, 1956
Law, R.W.; Margrave, J.L., Mass spectrometer appearance potentials for positive ion fragments from BF3, B(CH3)3, B(C2H5)3, B(OCH3)3, and HB(OCH3)2, J. Chem. Phys., 1956, 25, 1086. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References