Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions

Urszula Domańska-Żelazna , Kamil Paduszyński , Żaneta K. Niszczota


The (liquid + liquid) and (solid + liquid) phase equilibria of nine binary mixtures containing fragrance raw materials (FRM) such as aliphatic ketones and compounds based on cyclohexane with water were investigated. The systems \2-heptanone, or 2-nonanone, or 2-undecanone, or 2-tridecanone, or cyclohexyl carboxylic acid (CCA), or cyclohexyl acetic acid (CAA), or 2-cyclohexyl ethanol (2CE) or cyclohexyl acetate (CA), or 2-cyclohexyl ethyl acetate (2CEA) + water (2)\ have been measured by a dynamic method in wide range of temperatures from (290 to 360) K and ambient pressure. For all systems immiscibility in the liquid phase was detected. The experimental data was correlated by means of the NRTL equation, utilizing parameters derived from the (liquid + liquid) equilibrium. Additionally, the binary mixtures were predicted with the Mod. UNIFAC (Do) model, with known from literature parameters, with very good results.
Author Urszula Domańska-Żelazna (FC / DPC)
Urszula Domańska-Żelazna,,
- Department Of Physical Chemistry
, Kamil Paduszyński (FC / DPC)
Kamil Paduszyński,,
- Department Of Physical Chemistry
, Żaneta K. Niszczota - [Warsaw University of Technology (PW), MNiSW [80]]
Żaneta K. Niszczota,,
- Politechnika Warszawska
Journal seriesJournal of Chemical Thermodynamics, ISSN 0021-9614, (A 35 pkt)
Issue year2011
Keywords in EnglishCorrelation, Experimental (liquid + liquid), or (solid + liquid) phase equilibria, Mod. UNIFAC (Do) prediction, Molecular interactions
ASJC Classification1606 Physical and Theoretical Chemistry; 2500 General Materials Science; 3107 Atomic and Molecular Physics, and Optics
Languageen angielski
1-s2.0-S0021961410002417-main.pdf 1.23 MB
Score (nominal)35
Score sourcejournalList
Publication indicators Scopus Citations = 1; Scopus SNIP (Source Normalised Impact per Paper): 2011 = 1.294; WoS Impact Factor: 2011 = 2.422 (2) - 2011=2.173 (5)
Citation count*2 (2014-09-23)
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