Boric acid, trimethyl ester
- Formula: C3H9BO3
- Molecular weight: 103.913
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, 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 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 |
---|---|---|---|---|---|
Tboil | 341.99 | K | N/A | Owensby, Plank, et al., 1989 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 341.62 | K | N/A | Kraher, Plank, et al., 1986 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 341.8 | K | N/A | Schindler, Plank, et al., 1977 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 341.90 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 243.9 | K | N/A | Webster and Dennis, 1933 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 239.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.17 | 319. | Christopher and Shilman, 1967 | Based on data from 304. to 340. K.; AC |
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 |
---|---|---|---|---|---|
304.4 to 340.6 | 4.73800 | 1476.192 | -29.0 | Christopher and Shilman, 1967 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change data, 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, Phase change data, 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, Phase change data, 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.
Owensby, Plank, et al., 1989
Owensby, G.S.; Plank, C.A.; Laukhuf, W.L.S.,
Vapor-Liquid Equilibria of the Trimethyl Borate(1)-Trichloroethylene (2) System,
J. Chem. Eng. Data, 1989, 34, 213. [all data]
Kraher, Plank, et al., 1986
Kraher, M.V.; Plank, C.A.; Laukhuf, W.L.S.,
Vapor-Liquid Equilibria of the System Trimethyl Borate(1) - n-Cyclohexane(2),
J. Chem. Eng. Data, 1986, 31, 387. [all data]
Schindler, Plank, et al., 1977
Schindler, L.E.; Plank, C.A.; Christopher, P.M.; Laukhuf, W.L.S.,
Vapor-liquid equilibria of the ternary system methyl borate + methyl alcohol + carbon tetrachloride,
J. Chem. Eng. Data, 1977, 22, 294-6. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Webster and Dennis, 1933
Webster, S.H.; Dennis, L.M.,
Preparation and urification of Methyl BOrate and Ethyl BOrate,
J. Am. Chem. Soc., 1933, 55, 3233-5. [all data]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]
Christopher and Shilman, 1967
Christopher, Phoebus M.; Shilman, Avner,
Vapor pressures of trialkyl borates,
J. Chem. Eng. Data, 1967, 12, 3, 333-335, https://doi.org/10.1021/je60034a012
. [all data]
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, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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