s-Triazaborane

• Formula: B₃H₆N₃
• Molecular weight: 80.501
• IUPAC Standard InChI: InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H Copy

  
• IUPAC Standard InChIKey: BGECDVWSWDRFSP-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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 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

Ionization energy determinations

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

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

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• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Ttriple	Triple point temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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