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Heptanoic acid, 2-ethyl-

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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.2401.A,EBStephenson and Malanowski, 1987Based on data from 386. - 475. K. See also Trent, Miller, et al., 1960.

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 by: John E. Bartmess

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

C8H17O2- + Hydrogen cation = Heptanoic acid, 2-ethyl-

By formula: C8H17O2- + H+ = C9H18O2

Quantity Value Units Method Reference Comment
Deltar338.4 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; folded form. dSacid = 11.2 eu
Deltar345.7 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; Unfolded form
Quantity Value Units Method Reference Comment
Deltar335.1 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; folded form. dSacid = 11.2 eu
Deltar337.4 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; Unfolded form

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: John E. Bartmess

De-protonation reactions

C8H17O2- + Hydrogen cation = Heptanoic acid, 2-ethyl-

By formula: C8H17O2- + H+ = C9H18O2

Quantity Value Units Method Reference Comment
Deltar338.4 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; folded form. dSacid = 11.2 eu
Deltar345.7 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; Unfolded form
Quantity Value Units Method Reference Comment
Deltar335.1 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; folded form. dSacid = 11.2 eu
Deltar337.4 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; Unfolded form

IR Spectrum

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

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.
Source reference COBLENTZ NO. 2
Date Not specified, most likely prior to 1970
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.0026 CM CELL
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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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

View image of digitized spectrum (can be printed in landscape orientation).

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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 F.M.TRENT RES. DIV., U.S. IND. CHEM. CO., CINCINNATI, USA
NIST MS number 5503

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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Trent, Miller, et al., 1960
Trent, F.M.; Miller, F.D.; Brown, G.H., Some Physical Properties of Certain C 9 and C 10 Aliphatic Acids and their Methyl Esters.2-Ethylheptanoic and Pelargonic Acids, and Methyl Esters of 2-Ethylpentanoic,Pelargonic, 2, 5-Diethyladipic, 2-Ethylsuberic, and Sebacic Acids., J. Chem. Eng. Data, 1960, 5, 1, 110-111, https://doi.org/10.1021/je60005a026 . [all data]

Norrman and McMahon, 1999
Norrman, K.; McMahon, T.B., Intramolecular solvation of carboxylate anions in the gas phase, J. Phys. Chem. A, 1999, 103, 35, 7008-7016, https://doi.org/10.1021/jp9908202 . [all data]


Notes

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