4-Aminobutanoic acid

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Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-441. ± 2.kJ/molCcbSkoulika and Sabbah, 1983see Skoulika and Sabbah, 1982

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-561. ± 4.7kJ/molCcbContineanu and Marchidan, 1994ALS
Δfsolid-581.1 ± 0.3kJ/molCcbSkoulika and Sabbah, 1983see Skoulika and Sabbah, 1982; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2280. ± 4.7kJ/molCcbContineanu and Marchidan, 1994ALS
Δcsolid-2279.23 ± 0.11kJ/molCcbSkoulika and Sabbah, 1983see Skoulika and Sabbah, 1982; ALS
Δcsolid-2282.4 ± 0.84kJ/molCcbStrepikheev, Skuratov, et al., 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -2283. kJ/mol; At 293 °K; ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
133.6298.Skoulika and Sabbah, 1983DH
146.4298.15Spink and Wads, 1975DH

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δsub140. ± 2.kJ/molCSkoulika and Sabbah, 1983see Skoulika and Sabbah, 1982; ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Reference Comment
87. ± 2.493. - 500.Legendre, Bac, et al., 2009AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
139. ± 4.460. - 475.N/ALegendre, Bac, et al., 2009AC
138.9 ± 0.6395.CSkoulika and Sabbah, 1983Based on data from 384. - 407. K.; AC
140. ± 2.395.CSkoulika and Sabbah, 1983AC

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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.7PECannington and Ham, 1983 
9.6PECannington and Ham, 1983Vertical value

IR Spectrum

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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: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

Condensed Phase Spectrum

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IR spectrum
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Additional Data

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Owner Public domain
Origin Pacific Northwest National Laboratory Under IARPA Contract
Date March 2017
State solid
Instrument Bruker Tensor 37 FTIR
Aperture 6 mm
External diffuse reflectance accessory A 562-G integrating sphere
Beam splitter Ge on KBr
Diameter of detector port in sphere 2×2 mm, 60° field of view MCT
Sphere diameter 75 mm
Acquisition mode double-sided, forward-backward
Scanner velocity 40 kHz
Co-added scans 2048
Phase resolution 32.00
Phase correction Mertz
Zero filling
Spectral range 7,500 to 600 cm-1 saved; 7500 to 600 cm-1 reported
Resolution 0.96450084
Spectral resolution 4 cm-1
Wavenumber accuracy ± 0.4 cm-1
Apodization function Blackman-Harris 3-term
Low-pass filter Open
Switch gain on 512 points

Mass spectrum (electron ionization)

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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: 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Japan AIST/NIMC Database- Spectrum MS-NW-6199
NIST MS number 228101

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Skoulika and Sabbah, 1983
Skoulika, S.; Sabbah, R., Thermodynamique de composes azotes X. Etude thermochimique de quelques acides ω-amines, Thermochim. Acta, 1983, 61, 203-214. [all data]

Skoulika and Sabbah, 1982
Skoulika, S.; Sabbah, R., Enthalpy of formation of some ω-amino acids in the solid state, C. R. Seances Acad. Sci., Ser. 2, 1982, 295, 657-660. [all data]

Contineanu and Marchidan, 1994
Contineanu, J.; Marchidan, D.I., The enthalpies of combustion and formation of some isomers of aminobutyric (aminobutanoic) acid, Rev. Roum. Chim., 1994, 39, 1391-1395. [all data]

Strepikheev, Skuratov, et al., 1955
Strepikheev, A.A.; Skuratov, S.M.; Shtekher, S.M.; Muromova, R.S.; Brykina, E.P.; Kachinskaya, O.N., Mutual interaction of amino and carboxyl groups in amino acids, Dokl. Akad. Nauk SSSR, 1955, 102, 543-545. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Spink and Wads, 1975
Spink, C.H.; Wads, I., Thermochemistry of solutions of biochemical model compounds. 4. The partial molar heat capacities of some amino acids in aqueous solution, J. Chem. Thermodynam., 1975, 7, 561-572. [all data]

Legendre, Bac, et al., 2009
Legendre, B.; Bac, P.; German, M.; Feutelais, Yves, Low pressure phases, J Therm Anal Calorim, 2009, 98, 1, 91-95, https://doi.org/10.1007/s10973-009-0401-0 . [all data]

Cannington and Ham, 1983
Cannington, P.H.; Ham, N.S., He(I) and He(II) photoelectron spectra of glycine and related molecules, J. Electron Spectrosc. Relat. Phenom., 1983, 32, 139. [all data]


Notes

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