2,4,6-Trichloroborazine
- Formula: B3Cl3H3N3
- Molecular weight: 183.836
- IUPAC Standard InChI: InChI=1S/B3Cl3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H
- IUPAC Standard InChIKey: IJXPQKHXJCOFGH-UHFFFAOYSA-N
- CAS Registry Number: 933-18-6
- 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: Borazine, 2,4,6-trichloro-
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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.9 ± 0.05 | 386. | I | Laubengayer and Scaife, 1966 | Based on data from 363. - 409. K. |
| 11.4 | 373. | N/A | Brown and Laubengayer, 1955 | Based on data from 360. - 386. K. |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 16.8 ± 0.1 | 303. - 353. | I | Laubengayer and Scaife, 1966 |
| 17.0 | 313. - 357. | N/A | Brown and Laubengayer, 1955 |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.55 | PE | Brundle and Jones, 1973 | Vertical value |
| 10.55 | PE | Bock and Fuss, 1971 | Vertical value |
IR Spectrum
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.
Data compiled by: Coblentz Society, Inc.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Source reference | COBLENTZ NO. 9979 |
| Date | Not specified, most likely prior to 1977 |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Laubengayer and Scaife, 1966
Laubengayer, A.W.; Scaife, C.W.J.,
The Vapor Pressures and Some Thermodynamic Functions of B-Trifluoro-, B-Trichloro-, and B-Tribromoborazine.,
J. Chem. Eng. Data, 1966, 11, 2, 172-174, https://doi.org/10.1021/je60029a012
. [all data]
Brown and Laubengayer, 1955
Brown, Charles A.; Laubengayer, A.W.,
B-Trichloroborazole 1,
J. Am. Chem. Soc., 1955, 77, 14, 3699-3700, https://doi.org/10.1021/ja01619a007
. [all data]
Brundle and Jones, 1973
Brundle, C.R.; Jones, G.R.,
The high resolution photoelectron spectra and the electronic structure of XeOF4,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 403. [all data]
Bock and Fuss, 1971
Bock, H.; Fuss, W.,
Arguments concerning the orbital sequence in borazin,
Angew. Chem. Int. Ed. Engl., 1971, 10, 182. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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