2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane

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Condensed 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.

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar43.79cal/mol*KN/ACastle, Stoesser, et al., 1964 
solid,1 bar51.67cal/mol*KN/AClever, Wong, et al., 1964 

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
44.74298.15Castle, Stoesser, et al., 1964T = 5 to 350 K.
54.11320.Clever, Wong, et al., 1964T = 320 to 525 K.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple499.4KN/AWeinstein, Leffler, et al., 1984Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; TRC
Ttriple511.86KN/AClever, Wong, et al., 1964, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
26.7 ± 0.2418.CVorob'eva, Miroshnichenko, et al., 1984AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.10499.4DSCWeinstein, Leffler, et al., 1984, 2AC

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.141466.54crystaline, IIcrystaline, IClever, Wong, et al., 1964DH
5.7600511.86crystaline, IliquidClever, Wong, et al., 1964DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.46466.54crystaline, IIcrystaline, IClever, Wong, et al., 1964DH
11.26511.86crystaline, IliquidClever, Wong, et al., 1964DH

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

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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PECradock, Ebsworth, et al., 1975Vertical value

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

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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 Chemical Concepts
NIST MS number 186984

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Castle, Stoesser, et al., 1964
Castle, P.; Stoesser, R.; Westrum, E.F., Jr., Triethanolamine borate. The heat capacity and thermodynamic functions from 5 to 350 K, J. Phys. Chem., 1964, 68, 49-51. [all data]

Clever, Wong, et al., 1964
Clever, H.L.; Wong, W.-K.; Wulff, C.A.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. III. Transition and fusion of triethanolamine borate, J. Phys. Chem., 1964, 68, 1967-1969. [all data]

Weinstein, Leffler, et al., 1984
Weinstein, D.I.; Leffler, A.J.; Currie, J.A., Phase Transitions in Bicyclic Compounds, Mol. Cryst. Liq. Cryst., 1984, 104, 95. [all data]

Clever, Wong, et al., 1964, 2
Clever, H.L.; Wong, W.-K.; Wulff, C.A.; Westrum, E.F., Heat capacities of globular molecules. III. Transition and fusion of triethanolamine borate, J. Phys. Chem., 1964, 68, 1967. [all data]

Vorob'eva, Miroshnichenko, et al., 1984
Vorob'eva, V.P.; Miroshnichenko, E.A.; Solomennikova, I.I.; Zelchan, G.I.; Lukevits; Lebedev, Yu.A., Thermochemical investigation of trioxaazaboratricycloalkanes, Russ Chem Bull, 1984, 33, 7, 1372-1376, https://doi.org/10.1007/BF00956509 . [all data]

Weinstein, Leffler, et al., 1984, 2
Weinstein, D.I.; Leffler, A.J.; Currie, J.A., Phase Transitions In Bicyclic Compounds, Molecular Crystals and Liquid Crystals, 1984, 104, 1-2, 95-109, https://doi.org/10.1080/00268948408070401 . [all data]

Cradock, Ebsworth, et al., 1975
Cradock, S.; Ebsworth, E.A.V.; Muiry, I.B., Photoelectron spectra and bonding of (N-B) -2,8,9-trioxa-5-aza-1-bora-bicyclo[3.3.3]undecane (boratran) and some 2,8,9-trioxa-5-aza-1-sila- bicyclo[3.3.3]undecanes (silatrans), J. Chem. Soc. Dalton Trans., 1975, 25. [all data]


Notes

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