Triethyl borate
- Formula: C6H15BO3
- Molecular weight: 145.993
- IUPAC Standard InChIKey: AJSTXXYNEIHPMD-UHFFFAOYSA-N
- CAS Registry Number: 150-46-9
- 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. - Species with the same structure:
- Other names: Boric acid, triethyl ester; Borane, triethoxy-; Boron ethoxide; Boron triethoxide; Triethoxyborane; Triethoxyboron; B(OC2H5)3; Boric acid (H3-BO3), triethyl ester; Ethyl borate ((EtO)3B); Triethylester kyseliny borite; Ethyl borate; NSC 2055
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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:
BS - Robert L. Brown and Stephen E. Stein
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 | 391. | K | N/A | American Tokyo Kasei, 1988 | BS |
Tboil | 391.8 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 188.4 | K | N/A | Webster and Dennis, 1933 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.0 | 317. | Christopher and Shilman, 1967 | Based on data from 302. to 382. K.; AC |
38.2 | 391. | Christopher and Shilman, 1967 | Based on data from 302. to 382. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
302.3 to 381.8 | 4.19312 | 1379.301 | -62.472 | Christopher and Shilman, 1967 | Coefficents calculated by NIST from author's data. |
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- + C6H15BO3 = (F- • C6H15BO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 184. ± 13. | kJ/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° | 153. ± 8.4 | kJ/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 |
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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
10.13 | EI | Lappert, Litzow, et al., 1970 |
10.47 ± 0.12 | EI | Fallon, Kelly, et al., 1968 |
Ion clustering data
Go To: Top, Phase change data, Reaction thermochemistry 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 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
By formula: F- + C6H15BO3 = (F- • C6H15BO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 184. ± 13. | kJ/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° | 153. ± 8.4 | kJ/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 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 7th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 108-14. [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]
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]
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]
Fallon, Kelly, et al., 1968
Fallon, P.J.; Kelly, P.; Lockhart, J.C.,
Fragmentation of some alkyl borates under electron impact,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 133. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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