Boron trichloride
- Formula: BCl3
- Molecular weight: 117.170
- IUPAC Standard InChIKey: FAQYAMRNWDIXMY-UHFFFAOYSA-N
- CAS Registry Number: 10294-34-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Borane, trichloro-; Boron chloride (BCl3); Trichloroborane; Trichloroboron; BCl3; Boron chloride; Chlorure de bore; UN 1741; Trona boron trichloride
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 |
---|---|---|---|---|---|
ΔfH°gas | -402.96 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 290.17 | J/mol*K | Review | Chase, 1998 | Data 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. to 700. | 700. to 6000. |
---|---|---|
A | 35.28970 | 82.15702 |
B | 137.5072 | 0.644587 |
C | -157.7067 | -0.146435 |
D | 66.77204 | 0.011063 |
E | -0.146399 | -2.805340 |
F | -418.8268 | -435.9100 |
G | 297.4736 | 376.3052 |
H | -402.9615 | -402.9615 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1964 | Data last reviewed in December, 1964 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tc | 0. | K | N/A | Parker and Robinson, 1927 | TRC |
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 to 285.9 | 3.95145 | 973.995 | -38.994 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change 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:
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 ± 0.20 | NBIE | Rothe, Mathur, et al., 1980 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.64 ± 0.02 | PE | Bassett and Lloyd, 1971 | LLK |
11.60 ± 0.02 | PI | Dibeler and Walker, 1969 | RDSH |
11.62 | PE | King, Krishnamurthy, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
B+ | 19.5 ± 0.2 | ? | EI | Koski, Kaufman, et al., 1959 | RDSH |
B+ | 18.4 ± 0.2 | ? | EI | Marriott and Craggs, 1957 | RDSH |
B+ | 19.5 ± 1.0 | ? | EI | Law and Margrave, 1956 | RDSH |
BCl+ | 18.37 ± 0.02 | 2Cl? | PI | Dibeler and Walker, 1969 | RDSH |
BCl2+ | 12.30 ± 0.02 | Cl | PI | Dibeler and Walker, 1969 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
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]
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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tc Critical temperature ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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