dichloroborane
- Formula: BCl2H
- Molecular weight: 82.725
- IUPAC Standard InChI: InChI=1S/BCl2H/c2-1-3/h1H
- IUPAC Standard InChIKey: LHCGBIFHSCCRRG-UHFFFAOYSA-N
- CAS Registry Number: 10325-39-0
- 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, dichloro-
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -59.300 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 64.116 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 7.859030 | 18.85290 |
| B | 21.21020 | 0.535331 |
| C | -16.00730 | -0.103494 |
| D | 4.571430 | 0.006924 |
| E | -0.090950 | -1.846141 |
| F | -62.75930 | -69.32299 |
| G | 67.46291 | 80.83719 |
| H | -59.30000 | -59.30000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 | Data last reviewed in March, 1966 |
Reaction thermochemistry 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 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
BCl2- + =
By formula: BCl2- + H+ = HBCl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 402. ± 24. | kcal/mol | Acid | Chase Jr., Curnutt, et al., 1982 | gas phase; Est: from IP,EA of isoelectronic NO2, BF2, AlF2. Calc G2: 1.47 eV Baeck, Choi, et al., 1999 |
Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.91 ± 0.02 | PE | Frost, Kirby, et al., 1981 | LLK |
De-protonation reactions
BCl2- + =
By formula: BCl2- + H+ = HBCl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 402. ± 24. | kcal/mol | Acid | Chase Jr., Curnutt, et al., 1982 | gas phase; Est: from IP,EA of isoelectronic NO2, BF2, AlF2. Calc G2: 1.47 eV Baeck, Choi, et al., 1999; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]
Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A.,
JANAF Thermochemical Tables 1982 Supplement,
J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666
. [all data]
Baeck, Choi, et al., 1999
Baeck, K.K.; Choi, H.; Iwata, S.,
Theoretical study on spectroscopic properties of positive, neutral, and negative species of BCl2 and AlCl2: The stability of the negative species,
J. Phys. Chem. A, 1999, 103, 34, 6772-6777, https://doi.org/10.1021/jp991072j
. [all data]
Frost, Kirby, et al., 1981
Frost, D.C.; Kirby, C.; McDowell, C.A.; Westwood, N.P.C.,
Preparation and HeI photoelectron spectra of the dihaloboranes, HBX2 (X = Cl and Br),
J. Am. Chem. Soc., 1981, 103, 4428. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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