Phase transition properties, chemical purity, and solubility of coniferyl alcohol and D-mannose: Experimental and Cosmo-RS predictions

Mood Mohan, Tamal Banerjee, Vaibhav V. Goud

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The main objective of the study was to investigate the phase transition properties (melting temperature and heat of fusion) and chemical purity of coniferyl alcohol and D-mannose by differential scanning calorimetry (DSC). The measurements have been performed at different heating rates from 1–20 °C/min under atmospheric inert gas. From the DSC analysis, the onset temperature, peak temperature, and the heat of fusion of both the compounds were measured. They were found to increase with an increase in the heating rate. The chemical purity of coniferyl alcohol and D-mannose were determined based on the van't Hoff equation. The chemical purity of coniferyl alcohol was observed to be 99.54 mol% with a correction factor of 1.44 % at a 15 °C/min heating rate. The corresponding purity values for D-mannose were 98.98 mol% at a correction factor of 6.76 % and 20 °C/min. The obtained results showed that the chemical purity of both the compounds was found to decrease with an increase in the correction factor. Furthermore, this study also focuses on the solubility of both substances in ionic liquids by applying the continuum solvation model (COSMO-RS) using DSC measured melting properties as input.

Original languageEnglish
Pages (from-to)1100-1106
Number of pages7
JournalThe Canadian Journal of Chemical Engineering
Volume97
Issue number5
DOIs
StatePublished - May 2019
Externally publishedYes

Funding

The work reported in this article was financially supported by a research grant received under the Fast Track Scheme from the Department of Science and Technology (DST), Government of India (No. SR/FTP/ETA-0018/2010). The authors thankfully acknowledge the Department of Chemical Engineering, IIT Guwahati for providing the necessary facilities for carrying out this research.

Keywords

  • COSMO-RS
  • D-mannose
  • coniferyl alcohol
  • differential scanning calorimetry
  • solubility

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