Boric acid, trimethyl ester
- Formula: C3H9BO3
- Molecular weight: 103.913
- IUPAC Standard InChI: InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
- IUPAC Standard InChIKey: WRECIMRULFAWHA-UHFFFAOYSA-N
- CAS Registry Number: 121-43-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trimethoxyborane; Boric acid (H3BO3), trimethyl ester; Borester O; Methyl borate; Trimethoxyborine; Trimethoxyboron; Trimethyl borate; B(OCH3)3; Methyl borate, ((MeO)3B); Trimethylester kyseliny borite; UN 2416; NSC 777
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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) | 195.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 187.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.0 | PE | Kroner, Nolle, et al., 1973 | LLK |
| 10.62 | EI | Lappert, Litzow, et al., 1970 | RDSH |
| 10.8 ± 0.3 | EI | Wada and Kiser, 1964 | RDSH |
| 8.9 ± 0.2 | EI | Law and Margrave, 1956 | RDSH |
| 10.40 | PE | Kroner, Nolle, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| B+ | 31.6 ± 1.0 | ? | EI | Law and Margrave, 1956 | RDSH |
| BO2+ | 17.5 ± 0.3 | ? | EI | Wada and Kiser, 1964 | RDSH |
| BO3+ | 13.2 ± 0.3 | ? | EI | Wada and Kiser, 1964 | RDSH |
| BO3+ | 12.7 ± 1.0 | ? | EI | Law and Margrave, 1956 | RDSH |
| CHO+ | 19.1 ± 0.3 | ? | EI | Wada and Kiser, 1964 | RDSH |
| CH3+ | 13.6 ± 0.5 | ? | EI | Law and Margrave, 1956 | RDSH |
| CH3O+ | 12.7 ± 0.2 | ? | EI | Wada and Kiser, 1964 | RDSH |
| C2H5BO2+ | 13.2 ± 0.2 | ? | EI | Wada and Kiser, 1964 | RDSH |
| C2H6BO+ | 16.6 ± 0.3 | ? | EI | Wada and Kiser, 1964 | RDSH |
| C2H6BO2+ | 13.0 ± 0.2 | CH3O | EI | Wada and Kiser, 1964 | RDSH |
| C2H6BO2+ | 9.6 ± 0.2 | CH3O | EI | Law and Margrave, 1956 | RDSH |
| C2H6BO3+ | 12.1 ± 0.2 | CH3 | EI | Wada and Kiser, 1964 | RDSH |
Gas Chromatography
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 593. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Kroner, Nolle, et al., 1973
Kroner, J.; Nolle, D.; Noth, H.,
Photoelektronenspektroskopische untersuchungen an bor-verbindungen, I Orbitalreihenfolgen und ladungsdichten in methylthiound methoxyborane,
Z. Naturforsch. B:, 1973, 28, 416. [all data]
Lappert, Litzow, et al., 1970
Lappert, M.F.; Litzow, M.R.; Pedley, J.B.; Riley, P.N.K.; Spalding, T.R.; Tweedale, A.,
Bonding studies of compounds of boron and the group IV elements. Part III.First ionisation potentials of some simple boron compounds by electron impact and by a new empirical molecular orbital method,
J. Chem. Soc. A, 1970, 2320. [all data]
Wada and Kiser, 1964
Wada, Y.; Kiser, R.W.,
A mass spectrometric study of trimethyl borate,
J. Phys. Chem., 1964, 68, 1588. [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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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