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s-Triazaborane

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Deltafgas-121.90kcal/molReviewChase, 1998Data last reviewed in January, 1900
Quantity Value Units Method Reference Comment
gas,1 bar69.001cal/mol*KReviewChase, 1998Data last reviewed in January, 1900

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. - 1200.1200. - 6000.
A -0.52048358.17569
B 105.99504.849771
C -73.39011-0.926807
D 19.818300.061498
E -0.172300-11.19740
F -126.4260-164.7260
G 38.88631104.9340
H -121.9000-121.9000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in January, 1900 Data last reviewed in January, 1900

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Ttriple215.76KN/ALebedev and Kulagina, 1991Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
2.536215.8ACKulagina, Lebedev, et al., 1992Based on data from 13. - 310. K. See also Lebedev and Kulagina, 1991.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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)191.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity184.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.88PEBrundle, Robin, et al., 1972LLK
10.14 ± 0.01PELloyd and Lynaugh, 1971LLK
9.88 ± 0.02PELloyd and Lynaugh, 1970RDSH
10.01 ± 0.01PEFrost, Herring, et al., 1970RDSH
9.77EIKuznesof, Stafford, et al., 1967RDSH
10.09PEBock and Fuss, 1971Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin ROC 0007
NIST MS number 19267

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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

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