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Borane, triethyl-

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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
solid,1 bar330.05J/mol*KN/AKostryukov, Samorukov, et al., 1977 
solid,1 bar338.1J/mol*KN/AFurukawa, 1955Below 15°. Debye extrapolation.

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
240.298.15Kostryukov, Samorukov, et al., 1977T = 12 to 322 K. Data calculated from equation. Cp = 6.2328 + 0.17161 T cal/mol*K.
241.4300.Furukawa, 1955T = 15 to 300 K.

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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil321.81KN/AKostryukov, Samorukov, et al., 1977DH
Quantity Value Units Method Reference Comment
Ttriple180.21KN/AKostryukov, Samorukov, et al., 1977, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple180.3KN/AFurukawa, 1955, 2Uncertainty assigned by TRC = 0.2 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
3.669300.Furukawa, 1955P = 56.27 mmHg; DH
33.6293.House, 1983AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
122.300.Furukawa, 1955P; DH

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
273. - 351.02.91408753.261-112.631Stock and Zeidler, 1921Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.522180.21Kostryukov, Samorukov, et al., 1977DH
11.85180.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
63.94180.21Kostryukov, Samorukov, et al., 1977DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
11.853180.3crystaline, IliquidFurukawa, 1955DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
65.7180.3crystaline, IliquidFurukawa, 1955DH

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 + Borane, triethyl- = (Fluorine anion bullet Borane, triethyl-)

By formula: F- + C6H15B = (F- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar259.4kJ/molIMRBMurphy and Beauchamp, 1977gas phase; iPr3B>Et3B>MeSiF3; B
Deltar213. ± 8.4kJ/molIMRELarson 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
Deltar100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar182. ± 8.4kJ/molIMRELarson 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

Chlorine anion + Borane, triethyl- = (Chlorine anion bullet Borane, triethyl-)

By formula: Cl- + C6H15B = (Cl- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar99.6 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Deltar99.6kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M
Deltar92.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar72.0 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Deltar72.0kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M

CN- + Borane, triethyl- = (CN- bullet Borane, triethyl-)

By formula: CN- + C6H15B = (CN- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar150.2 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar115.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B

Hydrogen anion + Borane, triethyl- = (Hydrogen anion bullet Borane, triethyl-)

By formula: H- + C6H15B = (H- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar290. ± 10.kJ/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2; B

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, 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 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

IE (eV) Method Reference Comment
9.6PEHolliday, Reade, et al., 1971LLK
9.7 ± 0.1EILappert, Pedley, et al., 1966RDSH
9.0 ± 0.2EILaw and Margrave, 1956RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+30.1 ± 0.5?EILaw and Margrave, 1956RDSH
C4H10B+9.6 ± 0.2C2H5EILaw and Margrave, 1956RDSH

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 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- + Borane, triethyl- = (CN- bullet Borane, triethyl-)

By formula: CN- + C6H15B = (CN- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar150.2 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar115.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B

Chlorine anion + Borane, triethyl- = (Chlorine anion bullet Borane, triethyl-)

By formula: Cl- + C6H15B = (Cl- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar99.6 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Deltar99.6kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M
Deltar92.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar72.0 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Deltar72.0kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M

Fluorine anion + Borane, triethyl- = (Fluorine anion bullet Borane, triethyl-)

By formula: F- + C6H15B = (F- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar259.4kJ/molIMRBMurphy and Beauchamp, 1977gas phase; iPr3B>Et3B>MeSiF3; B
Deltar213. ± 8.4kJ/molIMRELarson 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
Deltar100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar182. ± 8.4kJ/molIMRELarson 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

Hydrogen anion + Borane, triethyl- = (Hydrogen anion bullet Borane, triethyl-)

By formula: H- + C6H15B = (H- bullet C6H15B)

Quantity Value Units Method Reference Comment
Deltar290. ± 10.kJ/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2; B

IR Spectrum

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: Coblentz Society, Inc.

Gas Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin KALLERY CHEMICAL COMPANY
Source reference COBLENTZ NO. 833
Date 1960
State VAPOR AT 55 mmHg PRESSURE; $$ RESEARCH PURITY
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 10 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

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 CCC 0014
NIST MS number 943

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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]

Kostryukov, Samorukov, et al., 1977, 2
Kostryukov, V.N.; Samorukov, O.P.; Samorukova, N.K.; Krasavin, A.M.; Petrunin, A.B., Heat capacity of triethylboron at low temperature in Vses. Konf. Kalorim. [Rasshir. Tezisy Dokl.], 7th, Vol. 2, 387, 1977. [all data]

Furukawa, 1955, 2
Furukawa, G.T., Heat capacity, heatsof fusion and vaporization, and vapor pressure of triethylborane, (C2H5)3B, Natl. Bur. Stand., 1955. [all data]

House, 1983
House, J.E., Cohesion energies and solubility parameters for triethylboron and diethylzinc, Thermochimica Acta, 1983, 71, 1-2, 215-218, https://doi.org/10.1016/0040-6031(83)80370-0 . [all data]

Stock and Zeidler, 1921
Stock, A.; Zeidler, F., Zur Kenntnis des Bormethyls und Borathyls, Ber. Dtsch. Chem. Ges., 1921, 54, 3, 531-541, https://doi.org/10.1002/cber.19210540321 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Holliday, Reade, et al., 1971
Holliday, A.K.; Reade, W.; Johnstone, R.A.W.; Neville, A.F., Photo-electron spectrum of trivinylboron, Chem. Commun., 1971, 51. [all data]

Lappert, Pedley, et al., 1966
Lappert, M.F.; Pedley, J.B.; Riley, P.N.K.; Tweedale, A., Ionisation potentials and electronic spectra of halogeno- and amino-boranes, and a study of some redistribution reactions, Chem. Commun., 1966, 788. [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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References