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 Copy

  
• IUPAC Standard InChIKey: WRECIMRULFAWHA-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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

Constant pressure heat capacity of liquid

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

Enthalpy of vaporization

Antoine Equation Parameters

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

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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

 +  = ( • )

By formula: F^- + C₃H₉BO₃ = (F^- • C₃H₉BO₃)

CN^- +  = (CN^- • )

By formula: CN^- + C₃H₉BO₃ = (CN^- • C₃H₉BO₃)

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 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

Ionization energy determinations

Appearance energy determinations

Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CN^- +  = (CN^- • )

By formula: CN^- + C₃H₉BO₃ = (CN^- • C₃H₉BO₃)

 +  = ( • )

By formula: F^- + C₃H₉BO₃ = (F^- • C₃H₉BO₃)

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

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Hansen and Hughes, 1959
Hansen, C.E.; Hughes, R.L., Thermal properties of methyl borate, U.S. Dept. Comm., Off. Tech. Serv., P. B. Report, 1959, No. 150-307, 45pp. [all data]

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]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [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]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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