Diethanolamine

• Formula: C₄H₁₁NO₂
• Molecular weight: 105.1356
• IUPAC Standard InChI: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 Copy

  
• IUPAC Standard InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-42-2
• 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: Ethanol, 2,2'-iminobis-; Ethanol, 2,2'-iminodi-; Bis(2-hydroxyethyl)amine; Di(2-hydroxyethyl)amine; Diolamine; Iminodiethanol; N,N-Diethanolamine; 2-[(2-Hydroxyethyl)amino]ethanol; 2,2'-Dihydroxydiethylamine; 2,2'-Iminobis[ethanol]; 2,2'-Iminodi-1-ethanol; 2,2'-Iminodiethanol; Diaethanolamin; Diethanolamin; Diethylamine, 2,2'-dihydroxy-; Diethylolamine; DEA; NCI-C55174; N,N-Bis(2-hydroxyethyl)amine; Bis(hydroxyethyl)amine; Dabco DEOA-LF; Diethanol, 2,2'-imino-; N,N'-Iminodiethanol; Niax DEOA-LF; NSC 4959
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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

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

Constant pressure heat capacity of solid

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: 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

C₄H₁₂NO₂⁺ +  = (C₄H₁₂NO₂⁺ • )

By formula: C₄H₁₂NO₂⁺ + C₄H₁₁NO₂ = (C₄H₁₂NO₂⁺ • C₄H₁₁NO₂)

Bond type: Hydrogen bonds of the type OH-O between organics

Free energy of reaction

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 evaluated by: Edward P. Hunter and Sharon G. Lias

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

Minadakis and Sabbah, 1982
Minadakis, C.; Sabbah, R., Thermodynamique de composes azotes. VIII. Etude thermochimique de la diethanolamine et de la triethyanolamine et de la reaction de reduction de l'eau par celle-ci, Thermochim. Acta, 1982, 55, 147-159. [all data]

Sunner, Kulatunga, et al., 1986
Sunner, J.A.; Kulatunga, R.; Kebarle, P., Fast Atom Bombardment Mass Spectrometry and Gas Phase Basicities, Anal. Chem., 1986, 58, 7, 1312, https://doi.org/10.1021/ac00298a010 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  T	Temperature
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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