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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.39 | 298.15 | Hansen and Hughes, 1959 | T = 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 |
---|---|---|---|---|---|
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. |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.0 ± 4.0 | kcal/mol | IMRB | Larson and McMahon, 1985 | gas 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 |
ΔrG° | 34.0 ± 3.0 | kcal/mol | IMRB | Larson and McMahon, 1985 | gas 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 |
By formula: CN- + C3H9BO3 = (CN- • C3H9BO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.6 ± 1.0 | kcal/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35. | cal/mol*K | N/A | Larson, Szulejko, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.70 ± 0.50 | kcal/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
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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