Borane, triethyl-
- Formula: C6H15B
- Molecular weight: 97.994
- IUPAC Standard InChIKey: LALRXNPLTWZJIJ-UHFFFAOYSA-N
- CAS Registry Number: 97-94-9
- 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. - Other names: Triethylborane; Triethylboron; (C2H5)3B; Triethylborine; Borethyl
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 330.05 | J/mol*K | N/A | Kostryukov, Samorukov, et al., 1977 | |
S°solid,1 bar | 338.1 | J/mol*K | N/A | Furukawa, 1955 | Below 15°. Debye extrapolation. |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
240. | 298.15 | Kostryukov, Samorukov, et al., 1977 | T = 12 to 322 K. Data calculated from equation. Cp = 6.2328 + 0.17161 T cal/mol*K. |
241.4 | 300. | Furukawa, 1955 | T = 15 to 300 K. |
Reaction thermochemistry data
Go To: Top, Condensed phase 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 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- + C6H15B = (F- • C6H15B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 259.4 | kJ/mol | IMRB | Murphy and Beauchamp, 1977 | gas phase; iPr3B>Et3B>MeSiF3; B |
ΔrH° | 213. ± 8.4 | kJ/mol | IMRE | 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 |
ΔrS° | 100. | J/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 182. ± 8.4 | kJ/mol | IMRE | 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 |
By formula: Cl- + C6H15B = (Cl- • C6H15B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 99.6 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrH° | 99.6 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
ΔrS° | 92.0 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 72.0 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrG° | 72.0 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
By formula: CN- + C6H15B = (CN- • C6H15B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 150.2 ± 3.3 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 115.5 ± 0.84 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
By formula: H- + C6H15B = (H- • C6H15B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 290. ± 10. | kJ/mol | Endo | Workman and Squires, 1988 | gas phase; From Endo threshold for hydride transfer to CO2; B |
References
Go To: Top, Condensed phase thermochemistry 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.
Kostryukov, Samorukov, et al., 1977
Kostryukov, V.N.; Samorukov, O.P.; Samorukova, N.Kh.; Krasavin, A.M.; Petrunin, A.B.,
Heat capacity of triethylboron at low temperature,
Vses. Konf. Kalorim. [Russhir. Tezisy Dokl.] 7th, 1977, 2, 387-390. [all data]
Furukawa, 1955
Furukawa, G.T.,
Heat capacity, heats of fusion and vaporization, and vapor pressure of triethylborane, (C2H5)3B,
NBS Report, 1955, No. 3712, 1-16. [all data]
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Fluorine and Alkyl Substituent Effects on Gas-Phase Lewis Acidities of Boranes by ICR Spectroscopy,
Inorg. Chem., 1977, 16, 2437. [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]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [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]
Workman and Squires, 1988
Workman, D.B.; Squires, R.R.,
Hydride Binding Energies of Boranes,
Inorg. Chem., 1988, 27, 11, 1846, https://doi.org/10.1021/ic00284a003
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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