Trimethylamine, compd. with borane (1:1)

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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 bar40.531cal/mol*KN/AFinke, Todd, et al., 1970crystaline, III phase

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
41.530298.15Finke, Todd, et al., 1970crystaline, III phase; T = 12 to 390 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
Ttriple368.70KN/AFinke, Todd, et al., 1970, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
136. to 194.34.33304826.224-19.27Burg and Schlesinger, 1937Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
13.6311.AStephenson and Malanowski, 1987Based on data from 296. to 367. K. See also Burg and Schlesinger, 1937.; AC
13.6 ± 0.2273. to 363.MEAlton, Brown, et al., 1959AC

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.6059350.1crystaline, IIIcrystaline, IIFinke, Todd, et al., 1970DH
0.142360.4crystaline, IIcrystaline, IFinke, Todd, et al., 1970DH
1.1824368.70crystaline, IliquidFinke, Todd, et al., 1970DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.73350.1crystaline, IIIcrystaline, IIFinke, Todd, et al., 1970DH
3.939360.4crystaline, IIcrystaline, IFinke, Todd, et al., 1970DH
3.207368.70crystaline, IliquidFinke, Todd, et al., 1970DH

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Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H11BN- + Hydrogen cation = Trimethylamine, compd. with borane (1:1)

By formula: C3H11BN- + H+ = C3H12BN

Quantity Value Units Method Reference Comment
Δr393.1 ± 2.1kcal/molG+TSRen, Workman, et al., 1998gas phase; Acid heat est. from B-N bond strength of "35-40 kcal/mol" in Ren, Workman, et al., 1998
Quantity Value Units Method Reference Comment
Δr384.0 ± 2.0kcal/molIMRBRen, Workman, et al., 1998gas phase; Acid heat est. from B-N bond strength of "35-40 kcal/mol" in Ren, Workman, et al., 1998

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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.3 ± 0.2PELloyd and Lynaugh, 1972LLK

De-protonation reactions

C3H11BN- + Hydrogen cation = Trimethylamine, compd. with borane (1:1)

By formula: C3H11BN- + H+ = C3H12BN

Quantity Value Units Method Reference Comment
Δr393.1 ± 2.1kcal/molG+TSRen, Workman, et al., 1998gas phase; Acid heat est. from B-N bond strength of "35-40 kcal/mol" in Ren, Workman, et al., 1998; B
Quantity Value Units Method Reference Comment
Δr384.0 ± 2.0kcal/molIMRBRen, Workman, et al., 1998gas phase; Acid heat est. from B-N bond strength of "35-40 kcal/mol" in Ren, Workman, et al., 1998; B

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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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 Japan AIST/NIMC Database- Spectrum MS-NW-8856
NIST MS number 234921

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Finke, Todd, et al., 1970
Finke, H.L.; Todd, S.S.; Messerly, J.F., Trimethylamineborane and triethylamineborane: low-temperature thermodynamic properties, J. Chem. Thermodynam., 1970, 2, 129-138. [all data]

Finke, Todd, et al., 1970, 2
Finke, H.L.; Todd, S.S.; Messerly, J.F., Trimethylamineborane and Triethylamineborane: Low-temperature Thermodynamic Properties, J. Chem. Thermodyn., 1970, 2, 129. [all data]

Burg and Schlesinger, 1937
Burg, Anton B.; Schlesinger, H.I., Hydrides of Boron. VII. Evidence of the Transitory Existence of Borine (BH 3 ): Borine Carbonyl and Borine Trimethylammine, J. Am. Chem. Soc., 1937, 59, 5, 780-787, https://doi.org/10.1021/ja01284a002 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Alton, Brown, et al., 1959
Alton, E.R.; Brown, R.D.; Carter, J.C.; Taylor, R.C., Vapor Pressures of the Methylamine-Boranes and Ammonia-Triborane 1, J. Am. Chem. Soc., 1959, 81, 14, 3550-3551, https://doi.org/10.1021/ja01523a016 . [all data]

Ren, Workman, et al., 1998
Ren, J.H.; Workman, D.B.; Squires, R.R., Gas-phase negative ion chemistry of Lewis acid-base complexes, J. Am. Chem. Soc., 1998, 120, 40, 10511-10522, https://doi.org/10.1021/ja9804518 . [all data]

Lloyd and Lynaugh, 1972
Lloyd, D.R.; Lynaugh, N., Photoelectron studies of boron compounds. Part 3. Complexes of borane with Lewis bases, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 947. [all data]


Notes

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