Borane, trimethyl-
- Formula: C3H9B
- Molecular weight: 55.915
- IUPAC Standard InChI: InChI=1S/C3H9B/c1-4(2)3/h1-3H3
- IUPAC Standard InChIKey: WXRGABKACDFXMG-UHFFFAOYSA-N
- CAS Registry Number: 593-90-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Trimethylborane; Trimethylboron; (CH3)3B
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Phase change data
Go To: Top, 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 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 |
|---|---|---|---|---|---|
| Ttriple | 113.21 | K | N/A | Furukawa and Park, 1954 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.25 | 113.2 | Domalski and Hearing, 1996 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 as indicated in comments:
B - John E. Bartmess
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.4 | PI | Holliday, Reade, et al., 1971 | LLK |
| 8.8 ± 0.2 | EI | Law and Margrave, 1956 | RDSH |
| 10.69 | PE | Berger, Kroner, et al., 1976 | Vertical value; LLK |
| 10.68 | PE | Barker, Lappert, et al., 1975 | Vertical value; LLK |
| 10.69 | PE | Fuss and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| B+ | 23.1 ± 0.3 | ? | EI | Law and Margrave, 1956 | RDSH |
| CH3+ | 15.1 ± 0.3 | ? | EI | Law and Margrave, 1956 | RDSH |
| CH3B+ | 17.0 ± 0.5 | ? | EI | Law and Margrave, 1956 | RDSH |
| C2H6B+ | 10.3 ± 0.2 | CH3 | EI | Law and Margrave, 1956 | RDSH |
De-protonation reactions
C3H8B- + =
By formula: C3H8B- + H+ = C3H9B
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1532. ± 26. | kJ/mol | G+TS | Murphy and Beauchamp, 1976 | gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1502. ± 25. | kJ/mol | IMRB | Murphy and Beauchamp, 1976 | gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Furukawa and Park, 1954
Furukawa, G.T.; Park, R.P.,
Heat Capacity, Heats of Fusion, Transition, and Vaporization, and Vapor Pressure of Trimethylborane B(CH3)3, Natl. Bur. Stand., 1954. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Holliday, Reade, et al., 1971
Holliday, A.K.; Reade, W.; Johnstone, R.A.W.; Neville, A.F.,
Photo-electron spectrum of trivinylboron,
Chem. Commun., 1971, 51. [all data]
Law and Margrave, 1956
Law, R.W.; Margrave, J.L.,
Mass spectrometer appearance potentials for positive ion fragments from BF3, B(CH3)3, B(C2H5)3, B(OCH3)3, and HB(OCH3)2,
J. Chem. Phys., 1956, 25, 1086. [all data]
Berger, Kroner, et al., 1976
Berger, H.-O.; Kroner, J.; Noth, H.,
Die borhalogen-bindung in Methylhalogenboranen: Photoelektronenspektren und ab initio-Rechnungen,
Chem. Ber., 1976, 109, 2266. [all data]
Barker, Lappert, et al., 1975
Barker, G.K.; Lappert, M.F.; Pedley, J.B.; Sharp, G.J.; Westwood, N.P.C.,
Bonding studies of boron and the group 3-5 elements. Part XV. He(I) photoelectron spectra of monomeric group 3 tri-halide, trimethyl, and mixed halogenomethyl species,
J. Chem. Soc. Dalton Trans., 1975, 1765. [all data]
Fuss and Bock, 1974
Fuss, W.; Bock, H.,
Photoelectron spectra and molecular properties. XXXVI. (H3C)3B, (H3C)2BF, (H3C)2BN(CH3)2, and (H3C)2CC(CH3)2: The use of ionization potentials in assigning UV spectra,
J. Chem. Phys., 1974, 61, 1613. [all data]
Murphy and Beauchamp, 1976
Murphy, M.K.; Beauchamp, J.L.,
Acid-base properties and gas-phase ion chemistry of (CH3)3B,
J. Am. Chem. Soc., 1976, 98, 1433. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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