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
  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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• 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)
  • Gas Chromatography
  • References
  • Notes
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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 (atm)
    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

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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References

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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]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [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), Gas Chromatography, 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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