Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

DL-Alanine, N-DL-alanyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry 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 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
Deltafsolid-192.95 ± 0.45kcal/molCcbDiaz, Domalski, et al., 1992ALS
Quantity Value Units Method Reference Comment
Deltacsolid-780.94 ± 0.44kcal/molCcbDiaz, Domalski, et al., 1992ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
45.17298.Kulikov, Kozlov, et al., 1989T = 298 to 348 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference
7.93483.2Domalski and Hearing, 1996

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

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

CAS Reg. No. 581782-45-8 + DL-Alanine, N-DL-alanyl- = C12H23N4O6-

By formula: CAS Reg. No. 581782-45-8 + C6H12N2O3 = C12H23N4O6-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.40kcal/molTDEqLiu, Wyttenbacj, et al., 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.71kcal/molTDEqLiu, Wyttenbacj, et al., 2004gas phase; B

Sodium ion (1+) + DL-Alanine, N-DL-alanyl- = (Sodium ion (1+) bullet DL-Alanine, N-DL-alanyl-)

By formula: Na+ + C6H12N2O3 = (Na+ bullet C6H12N2O3)

Quantity Value Units Method Reference Comment
Deltar43.0 ± 1.7kcal/molCIDCCerda, Hoyau, et al., 1998RCD

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Robert C. Dunbar

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

Sodium ion (1+) + DL-Alanine, N-DL-alanyl- = (Sodium ion (1+) bullet DL-Alanine, N-DL-alanyl-)

By formula: Na+ + C6H12N2O3 = (Na+ bullet C6H12N2O3)

Quantity Value Units Method Reference Comment
Deltar43.0 ± 1.7kcal/molCIDCCerda, Hoyau, et al., 1998 

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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- 481
NIST MS number 230561

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, Ion clustering data, 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.

Diaz, Domalski, et al., 1992
Diaz, E.L.; Domalski, E.S.; Colbert, J.C., Enthalpies of combustion of glycylglycine and DL-alanyl-DL-alamine, J. Chem. Thermodyn., 1992, 24, 1311-1318. [all data]

Kulikov, Kozlov, et al., 1989
Kulikov, O.V.; Kozlov, V.A.; Malenkina, L.I.; Badelin, V.G., Heat capacities of amino acids and peptides and excess characteristics ot their aqueous solutions, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo, Inst. nevod. rast., 1989, Akad. [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]

Liu, Wyttenbacj, et al., 2004
Liu, D.; Wyttenbacj, T.; Carpenter, C.J.; Bowers, M.T., Investigation of Non-Covalent Interactions in Deprotonated Peptides: Structural and Energetic Competition between Aggregation and Hydration, J. Am. Chem. Soc., 2004, 126, 10, 3261, https://doi.org/10.1021/ja0393628 . [all data]

Cerda, Hoyau, et al., 1998
Cerda, B.A.; Hoyau, S.; Ohanessian, G.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1998, 120, 2437. [all data]


Notes

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