s-Triazaborane
- Formula: B3H6N3
- Molecular weight: 80.501
- IUPAC Standard InChIKey: BGECDVWSWDRFSP-UHFFFAOYSA-N
- CAS Registry Number: 6569-51-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Borazine; s-Triazatriborine, hexahydro-; Borazole; Borazyne, cyclic trimer; Hexahydro-s-triazaborine; Triborinetriamine; 1,3,5,2,4,6-Triazatriborine, hexahydro-; B3H6N3
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Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 215.76 | K | N/A | Lebedev and Kulagina, 1991 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.536 | 215.8 | AC | Kulagina, Lebedev, et al., 1992 | Based on data from 13. to 310. K. See also Lebedev and Kulagina, 1991.; AC |
Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 191.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 184.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.88 | PE | Brundle, Robin, et al., 1972 | LLK |
10.14 ± 0.01 | PE | Lloyd and Lynaugh, 1971 | LLK |
9.88 ± 0.02 | PE | Lloyd and Lynaugh, 1970 | RDSH |
10.01 ± 0.01 | PE | Frost, Herring, et al., 1970 | RDSH |
9.77 | EI | Kuznesof, Stafford, et al., 1967 | RDSH |
10.09 | PE | Bock and Fuss, 1971 | Vertical value; LLK |
References
Go To: Top, 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.
Lebedev and Kulagina, 1991
Lebedev, B.V.; Kulagina, T.G.,
Thermodynamic properties of borazole at temperatures from 0 to 310 K,
The Journal of Chemical Thermodynamics, 1991, 23, 12, 1097-1106, https://doi.org/10.1016/S0021-9614(05)80140-5
. [all data]
Kulagina, Lebedev, et al., 1992
Kulagina, T.G.; Lebedev, B.V.; Karataev, E.N.; Amosov, Yu.I.,
Thermodynamic properties of borazole at 0-310 K,
Zh. Fiz. Khim., 1992, 66, 6, 1694. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.,
Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules,
J. Am. Chem. Soc., 1972, 94, 1466. [all data]
Lloyd and Lynaugh, 1971
Lloyd, D.R.; Lynaugh, N.,
Photoelectron spectra of the symmetric trimethylborazines,
Chem. Commun., 1971, 3, 125. [all data]
Lloyd and Lynaugh, 1970
Lloyd, D.R.; Lynaugh, N.,
Photoelectron studies of boron compounds. I. Diborane, borazine and B-trifluoroborazine,
Phil. Trans. Roy. Soc. (London), 1970, A268, 97. [all data]
Frost, Herring, et al., 1970
Frost, D.C.; Herring, F.G.; McDowell, C.A.; Stenhouse, I.A.,
The ionization potentials of borazine by photoelectron spectrometry and INDO theory,
Chem. Phys. Lett., 1970, 5, 291. [all data]
Kuznesof, Stafford, et al., 1967
Kuznesof, P.M.; Stafford, F.E.; Shriver, D.F.,
Electron impact ionization potentials of methyl-substituted borazines,
J. Phys. Chem., 1967, 71, 1939. [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, References
- Symbols used in this document:
Ttriple Triple point temperature ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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