Thermodynamics of Mobile Order Theory. Part 4. Comparison of Experimental and Predicted Solubilities for Trans-Stilbene

2000 ◽  
Vol 38 (3) ◽  
pp. 333-343 ◽  
Author(s):  
Lindsay E. Roy ◽  
Carmen E. Hernández ◽  
Karina M. De Fina ◽  
William E. Acree
Keyword(s):  
Order Theory ◽  
Trans Stilbene ◽  
Mobile Order Theory ◽  
Mobile Order

Solubility of trans-stilbene in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon mobile order theory

1997 ◽  
Vol 75 (3) ◽  
pp. 258-261 ◽  
Author(s):  
Kristin A. Fletcher ◽  
Mary E.R. McHale ◽  
Karen S. Coym ◽  
William E. Acree Jr.
Keyword(s):  
Order Theory ◽  
Average Absolute Deviation ◽  
Absolute Deviation ◽  
Solubility Predictions ◽  
Ideal Solution Behavior ◽  
Trans Stilbene ◽  
Mobile Order Theory ◽  
Organic Nonelectrolyte ◽  
Predicted Values ◽  
Mobile Order

Experimental solubilities are reported at 25.0 °C for trans-stilbene dissolved in 28 different organic nonelectrolyte solvents containing methyl, ether, hydroxy, and tert-butyl functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 20 solvents for which predictions could be made, computations show that Mobile Order theory does provide fairly reasonable (although by no means perfect) estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is ca. 24%. In comparison, the average absolute deviation increases significantly to 935% when ideal solution behavior is assumed. KeyWords: trans-stilbene solubilities, organic nonelectrolyte solvents, solubility predictions.

Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory

2000 ◽  
Vol 78 (2) ◽  
pp. 184-190 ◽  
Author(s):  
Karina M De Fina ◽  
Tina L Sharp ◽  
Michael A Spurgin ◽  
Ivette Chuca ◽  
William E Acree, Jr. ◽  
...  
Keyword(s):  
Order Theory ◽  
Average Absolute Deviation ◽  
Absolute Deviation ◽  
Solubility Predictions ◽  
Mobile Order Theory ◽  
Dimethyl Urea ◽  
Organic Nonelectrolyte ◽  
Predicted Values ◽  
Alcohol Solvents ◽  
Mobile Order

Experimental solubilities are reported at 25.0°C for diuron (also called 3-(3,4-dichlorophenyl)-1,1-dimethyl urea) dissolved in 49 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, ester-, methyl-, and tert-butyl-functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 28 nonalcoholic solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 60.1%. Diuron solubilities in the alcohol solvents are used to calculate stability constants for presumed solute-solvent hydrogen bonds that are believed to occur in solution.Key words: pesticide, diuron solubilities, organic nonelectrolyte solvents, solubility predictions.

Article

1999 ◽  
Vol 77 (9) ◽  
pp. 1465-1470 ◽  
Author(s):  
Carmen E Hernández ◽  
Karina M De Fina ◽  
Lindsay E Roy ◽  
Tina L Sharp ◽  
William E Acree, Jr.
Keyword(s):  
Order Theory ◽  
Ideal Solution ◽  
Amino Ester ◽  
Average Absolute Deviation ◽  
Absolute Deviation ◽  
Solubility Predictions ◽  
Ideal Solution Behavior ◽  
Mobile Order Theory ◽  
Organic Nonelectrolyte ◽  
Mobile Order

Experimental solubilities are reported at 25.0°C for phenanthrene dissolved in 41 different organic nonelectrolyte solvents containing ether, carbonyl, hydroxy, chloro, amino, ester, methyl and tert-butyl functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 31 solvents for which predictions could be made, computations show that Mobile Order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 41.3% (excluding acetonitrile). In comparison, the average absolute deviation is 1610% when ideal solution behavior is assumed. Also reported are experimental solubilities at 26°C for pyrene dissolved in 1-hexanol, 1-heptanol, ethylbenzene, aniline, and 2-butanone.Key words: phenanthrene solubilities, organic nonelectrolyte solvents, solubility predictions.

Solubility of Thioxanthen-9-One in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

1998 ◽  
Vol 35 (4) ◽  
pp. 243-252 ◽  
Author(s):  
Kristin A. Fletcher ◽  
Karen S. Coym ◽  
Lindsay E. Roy ◽  
Carmen E. Hernández ◽  
Mary E. R. McHale ◽  
...  
Keyword(s):  
Order Theory ◽  
Mobile Order Theory ◽  
Organic Nonelectrolyte ◽  
Predicted Values ◽  
Mobile Order

Solubility of 9-Fluorenone in Organic Nonelectrolyte Solvents: Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

2003 ◽  
Vol 41 (1) ◽  
pp. 73-80 ◽  
Author(s):  
Cassandra I. MonÁrrez ◽  
Dawn M. Stovall ◽  
Jee H. Woo ◽  
Priscilla Taylor ◽  
William E. Acree
Keyword(s):  
Order Theory ◽  
Mobile Order Theory ◽  
Organic Nonelectrolyte ◽  
Predicted Values ◽  
Mobile Order
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