Trimethylamine, compd. with borane (1:1)
- Formula: C3H12BN
- Molecular weight: 72.945
- IUPAC Standard InChIKey: KQVSXUGMDCAISO-UHFFFAOYSA-N
- CAS Registry Number: 75-22-9
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Boron, (N,N-dimethylmethanamine)trihydro-, (T-4)-; Trimethylamine borane; (CH3)3NBH3; Borane-trimethylamine complex; Borane-trimethylamine (1:1); Methanamine, N,N-dimethyl-, compd. with borane (1:1); Borane, compd. with N,N-dimethylmethanamine (1:1); Borane, compd. with trimethylamine (1:1); TMAB; NSC 10220; trimethylamine--borane (1:1); Boron, (N,N-dimethylmethanamine)trihydro-
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Phase change data
Go To: Top, Reaction 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 368.70 | K | N/A | Finke, Todd, et al., 1970 | Crystal 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 194.3 | 4.33304 | 826.224 | -19.27 | Burg and Schlesinger, 1937 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.6 | 311. | A | Stephenson and Malanowski, 1987 | Based on data from 296. to 367. K. See also Burg and Schlesinger, 1937.; AC |
13.6 ± 0.2 | 273. to 363. | ME | Alton, Brown, et al., 1959 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6059 | 350.1 | crystaline, III | crystaline, II | Finke, Todd, et al., 1970, 2 | DH |
0.142 | 360.4 | crystaline, II | crystaline, I | Finke, Todd, et al., 1970, 2 | DH |
1.1824 | 368.70 | crystaline, I | liquid | Finke, Todd, et al., 1970, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.73 | 350.1 | crystaline, III | crystaline, II | Finke, Todd, et al., 1970, 2 | DH |
3.939 | 360.4 | crystaline, II | crystaline, I | Finke, Todd, et al., 1970, 2 | DH |
3.207 | 368.70 | crystaline, I | liquid | Finke, Todd, et al., 1970, 2 | DH |
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- + =
By formula: C3H11BN- + H+ = C3H12BN
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 393.1 ± 2.1 | kcal/mol | G+TS | Ren, Workman, et al., 1998 | gas 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 |
ΔrG° | 384.0 ± 2.0 | kcal/mol | IMRB | Ren, Workman, et al., 1998 | gas 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
Go To: Top, Phase change data, Reaction thermochemistry 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:
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 ± 0.2 | PE | Lloyd and Lynaugh, 1972 | LLK |
De-protonation reactions
C3H11BN- + =
By formula: C3H11BN- + H+ = C3H12BN
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 393.1 ± 2.1 | kcal/mol | G+TS | Ren, Workman, et al., 1998 | gas 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 |
ΔrG° | 384.0 ± 2.0 | kcal/mol | IMRB | Ren, Workman, et al., 1998 | gas 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, 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. 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]
Finke, Todd, et al., 1970, 2
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]
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
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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