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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

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When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Organic species with nitrogen (N) → Amines, amides, amino acids (C, H, O, N) → N-methyldiethanolamine

FORMULA:C5H13NO2
CAS RN:105-59-9
STRUCTURE
(FROM NIST):
InChIKey:CRVGTESFCCXCTH-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
3.3×103 Du et al. (2017) M 480)
3.9×103 3800 Nguyen (2013) M 11)
4.0×105 12000 Kim et al. (2008) M 552)
3.1×105 Duchowicz et al. (2020) V 187)
3.2×105 HSDB (2015) V
1.3×105 Duchowicz et al. (2020) Q
2.4×103 Du et al. (2017) Q 551)
1.9×103 Du et al. (2017) Q

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
  • Du, Y., Yuan, Y., & Rochelle, G. T.: Volatility of amines for CO2 capture, Int. J. Greenhouse Gas Control, 58, 1–9, doi:10.1016/J.IJGGC.2017.01.001 (2017).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
  • Kim, I., Svendsen, H. F., & Børresen, E.: Ebulliometric determination of vapor-liquid equilibria for pure water, monoethanolamine, N-methyldiethanolamine, 3-(methylamino)-propylamine, and their binary and ternary solutions, J. Chem. Eng. Data, 53, 2521–2531, doi:10.1021/JE800290K (2008).
  • Nguyen, T.: Amine Volatility in CO2 Capture, Ph.D. thesis, The University of Texas at Austin, USA, URL https://rochelle.che.utexas.edu/files/2015/02/Nguyen-2013-Amine-Volatility-in-CO2-Capture.pdf (2013).

Type

Table entries are sorted according to reliability of the data, listing the most reliable type first: L) literature review, M) measured, V) VP/AS = vapor pressure/aqueous solubility, R) recalculation, T) thermodynamical calculation, X) original paper not available, C) citation, Q) QSPR, E) estimate, ?) unknown, W) wrong. See Section 3.1 of Sander (2023) for further details.

Notes

11) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
480) Value at T = 313 K.
551) Calculated using the method from Nguyen (2013).
552) Calculated from the slope of y1P vs x1, using the tabulated VLE data from Kim et al. (2008) between 40 °C and 100 °C. Only dilute solutions with x1 ≤ 0.1 were considered.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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