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Boric acid, trimethyl ester

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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

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
45.39298.15Hansen and Hughes, 1959T = 273 to 453 K. Cp(liq) = 0.75534 + 0.0012419t Btu/lb*K (0 to 180°C). Cp value calculated from equation.

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

Quantity Value Units Method Reference Comment
Tboil341.99KN/AOwensby, Plank, et al., 1989Uncertainty assigned by TRC = 0.4 K; TRC
Tboil341.62KN/AKraher, Plank, et al., 1986Uncertainty assigned by TRC = 0.2 K; TRC
Tboil341.8KN/ASchindler, Plank, et al., 1977Uncertainty assigned by TRC = 0.3 K; TRC
Tboil341.90KN/ALecat, 1927Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus243.9KN/AWebster and Dennis, 1933Uncertainty assigned by TRC = 0.5 K; TRC
Tfus239.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.5 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
8.17319.Christopher and Shilman, 1967Based on data from 304. - 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 - 340.64.738001476.192-29.0Christopher and Shilman, 1967Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Fluorine anion + Boric acid, trimethyl ester = (Fluorine anion bullet Boric acid, trimethyl ester)

By formula: F- + C3H9BO3 = (F- bullet C3H9BO3)

Quantity Value Units Method Reference Comment
Deltar42.0 ± 4.0kcal/molIMRBLarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar34.0 ± 3.0kcal/molIMRBLarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

CN- + Boric acid, trimethyl ester = (CN- bullet Boric acid, trimethyl ester)

By formula: CN- + C3H9BO3 = (CN- bullet C3H9BO3)

Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.0kcal/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar35.cal/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar10.70 ± 0.50kcal/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

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

Quantity Value Units Method Reference Comment
Proton affinity (review)195.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity187.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.0PEKroner, Nolle, et al., 1973LLK
10.62EILappert, Litzow, et al., 1970RDSH
10.8 ± 0.3EIWada and Kiser, 1964RDSH
8.9 ± 0.2EILaw and Margrave, 1956RDSH
10.40PEKroner, Nolle, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+31.6 ± 1.0?EILaw and Margrave, 1956RDSH
BO2+17.5 ± 0.3?EIWada and Kiser, 1964RDSH
BO3+13.2 ± 0.3?EIWada and Kiser, 1964RDSH
BO3+12.7 ± 1.0?EILaw and Margrave, 1956RDSH
CHO+19.1 ± 0.3?EIWada and Kiser, 1964RDSH
CH3+13.6 ± 0.5?EILaw and Margrave, 1956RDSH
CH3O+12.7 ± 0.2?EIWada and Kiser, 1964RDSH
C2H5BO2+13.2 ± 0.2?EIWada and Kiser, 1964RDSH
C2H6BO+16.6 ± 0.3?EIWada and Kiser, 1964RDSH
C2H6BO2+13.0 ± 0.2CH3OEIWada and Kiser, 1964RDSH
C2H6BO2+9.6 ± 0.2CH3OEILaw and Margrave, 1956RDSH
C2H6BO3+12.1 ± 0.2CH3EIWada and Kiser, 1964RDSH

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
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- + Boric acid, trimethyl ester = (CN- bullet Boric acid, trimethyl ester)

By formula: CN- + C3H9BO3 = (CN- bullet C3H9BO3)

Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.0kcal/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar35.cal/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar10.70 ± 0.50kcal/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

Fluorine anion + Boric acid, trimethyl ester = (Fluorine anion bullet Boric acid, trimethyl ester)

By formula: F- + C3H9BO3 = (F- bullet C3H9BO3)

Quantity Value Units Method Reference Comment
Deltar42.0 ± 4.0kcal/molIMRBLarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar34.0 ± 3.0kcal/molIMRBLarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin R.W. KISER KANSAS STATE UNIV., MANHATTAN, KANSAS, USA
NIST MS number 1326

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Gas Chromatography

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, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101593.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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), Gas Chromatography, 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]

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