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May 29, 2026Canadian Journal of Chemistry0 citations

Experimental Determination of Solvation Parameter Model Solute Descriptor Values for Anthrone

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LPLamal PereraTDThamila DayaniSASanka Atapattu

Key Points

  • To determine the solvation parameter model descriptor values for anthrone using chromatographic techniques.
  • Applied a quantitative structure-property relationship for analysis.
  • Calculated descriptor values using gas-liquid chromatographic retention factors and liquid-liquid partition coefficients.
  • Utilized the solver algorithm in Excel for calculations.
  • Reported descriptor values: E= 1.640, S= 0.774, A= 0.000, L= 9.149, B= 0.692, V= 1.5131; standard deviation 0.092.

Abstract

In this study, the solvation parameter model was applied as a Quantitative Structure-Property Relationship to determine the descriptor values of anthrone. The production and applications of anthrone can lead to its release into the environment through different waste streams, posing risks to both the environment and human health. By utilizing the solver algorithm in Excel, the descriptor values of anthrone were calculated based on gas-liquid chromatographic retention factors in combination with liquid-liquid partition coefficients, resulting in E= 1.640, S= 0.774, A= 0.000, L= 9.149, B= 0.692, and V= 1.5131 with a standard deviation of 0.092. These proposed descriptor values will be valuable for predicting and estimating the physicochemical properties of anthrone in future analysis.

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Cite This Study

Perera et al. (2026) studied this question.

synapsesocial.com/papers/6a192ee7fab5b468c441827ahttps://doi.org/10.1139/cjc-2026-0015
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