Triethanolamine
- Formula: C6H15NO3
- Molecular weight: 149.1882
- IUPAC Standard InChIKey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
- CAS Registry Number: 102-71-6
- 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: Trolamine; Ethanol, 2,2',2''-nitrilotris-; Ethanol, 2,2',2''-nitrilotri-; Daltogen; Nitrilotriethanol; Sterolamide; Sting-Kill; Thiofaco T-35; Tri(hydroxyethyl)amine; Triaethanolamin-NG; Triethanolamin; Tris(2-hydroxyethyl)amine; 2,2',2''-Nitrilotriethanol; 2,2',2''-Nitrilotris[ethanol]; N(CH2CH2OH)3; Nitrilo-2,2',2"-triethanol; Triethylamine, 2,2',2''-trihydroxy-; Triethylolamine; Trihydroxytriethylamine; TEA; Tris(β-hydroxyethyl)amine; Alkanolamine 244; Tea (amino alcohol); Teoa; Tris(beta-hydroxyethyl)amine; Trola; 2,2',2-Nitrilotris(ethanol); NSC 36718
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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 |
---|---|---|---|---|---|
ΔfH°gas | -133.4 ± 0.65 | kcal/mol | Ccr | Minadakis 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 |
---|---|---|---|---|---|
ΔfH°liquid | -158.7 ± 0.36 | kcal/mol | Ccr | Minadakis and Sabbah, 1982 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -917.93 ± 0.36 | kcal/mol | Ccr | Minadakis and Sabbah, 1982 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
93.0 | 298.15 | Minadakis and Sabbah, 1982 | Cp given as 2.6 J/g*K.; DH |
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 294.72 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 294.4 | K | N/A | Anonymous, 1957 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 25.31 ± 0.53 | kcal/mol | C | Minadakis and Sabbah, 1982 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
464.7 | 0.007 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.0 | 538. | A | Stephenson and Malanowski, 1987 | Based on data from 523. to 579. K. See also McDonald, Shrader, et al., 1959, 2 and Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
525.9 to 578.8 | 7.18680 | 4543.902 | 24.749 | McDonald, Shrader, et al., 1959, 2 | Coefficents calculated by NIST from author's data. |
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
By formula: C6H16NO3+ + C6H15NO3 = (C6H16NO3+ • C6H15NO3)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.4 | 500. | PHPMS | Sunner, Kulatunga, et al., 1986 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.9 | PE | Cradock, Ebsworth, et al., 1975 | |
~8.7 | PE | Cradock, Ebsworth, et al., 1975 | Vertical value |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
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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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 | TNO Volatile Compounds in Food - Chemical Concepts |
NIST MS number | 249793 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
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]
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of 30 Organics,
J. Chem. Eng. Data, 1959, 4, 311. [all data]
Anonymous, 1957
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
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]
McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]
Cradock, Ebsworth, et al., 1975
Cradock, S.; Ebsworth, E.A.V.; Muiry, I.B.,
Photoelectron spectra and bonding of (N-B) -2,8,9-trioxa-5-aza-1-bora-bicyclo[3.3.3]undecane (boratran) and some 2,8,9-trioxa-5-aza-1-sila- bicyclo[3.3.3]undecanes (silatrans),
J. Chem. Soc. Dalton Trans., 1975, 25. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid T Temperature Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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