Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19991727 ◽

1999 ◽

Vol 64 (11) ◽

pp. 1727-1747 ◽

Author(s):

George R. Famini ◽

Dalia Benyamin ◽

Christina Kim ◽

Rattiporn Veerawat ◽

Leland Y. Wilson

Keyword(s):

Correlation Analysis ◽

Distribution Coefficient ◽

Water Distribution ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Linear Solvation Energy Relationship ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Water Equilibrium ◽

Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

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ChemInform Abstract: LINEAR SOLVATION ENERGY RELATIONSHIPS. PART 3. SOME REINTERPRETATIONS OF SOLVENT EFFECTS BASED ON CORRELATIONS WITH SOLVENT Π* AND α VALUES

Chemischer Informationsdienst ◽

10.1002/chin.197924030 ◽

1979 ◽

Vol 10 (24) ◽

Author(s):

M. J. KAMLET ◽

R. W. TAFT

Keyword(s):

Solvent Effects ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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ChemInform Abstract: Linear Solvation Energy Relationships. Part 38. An Analysis of the Use of Solvent Parameters in the Correlation of Rate Constants, with Special Reference to the Solvolysis of t-Butyl Chloride.

10.1002/chin.198748084 ◽

1987 ◽

Vol 18 (48) ◽

Author(s):

M. H. ABRAHAM ◽

R. M. DOHERTY ◽

M. J. KAMLET ◽

J. M. HARRIS ◽

R. W. TAFT

Keyword(s):

Special Reference ◽

Rate Constants ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Butyl Chloride ◽

Solvent Parameters ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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ChemInform Abstract: LINEAR SOLVATION ENERGY RELATIONSHIPS. 6. ADDITIONS TO AND CORRELATIONS WITH THE Π* SCALE OF SOLVENT POLARITIES

Chemischer Informationsdienst ◽

10.1002/chin.197948039 ◽

1979 ◽

Vol 10 (48) ◽

Author(s):

M. J. KAMLET ◽

T. N. HALL ◽

J. BOYKIN ◽

R. W. TAFT

Keyword(s):

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Comments on ‘an improved characteristic molecular volume parameter for linear solvation energy relationships of acyclic alkanes’

Journal of Physical Organic Chemistry ◽

10.1002/poc.1153 ◽

2007 ◽

Vol 20 (5) ◽

pp. 365-367 ◽

Author(s):

Christina Mintz ◽

William E. Acree

Keyword(s):

Solvation Energy ◽

Molecular Volume ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Linear solvation energy relationships. 28. An analysis of Swain's solvent "acity" and "basity" scales

The Journal of Organic Chemistry ◽

10.1021/jo00185a034 ◽

1984 ◽

Vol 49 (11) ◽

pp. 2001-2005 ◽

Author(s):

R. W. Taft ◽

Jose Luis M. Abboud ◽

Mortimer J. Kamlet

Keyword(s):

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Prediction of solid–fluid equilibria in supercritical carbon dioxide using linear solvation energy relationships

Fluid Phase Equilibria ◽

10.1016/s0378-3812(98)00295-7 ◽

1998 ◽

Vol 150-151 ◽

pp. 479-492 ◽

Author(s):

David Bush ◽

Charles A. Eckert

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation ◽

Supercritical Carbon

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Linear solvation energy relationships. 26. Some measures of relative self-association of alcohols and water

Journal of the American Chemical Society ◽

10.1021/ja00360a048 ◽

1983 ◽

Vol 105 (22) ◽

pp. 6741-6743 ◽

Author(s):

Mortimer J. Kamlet ◽

Ruth Doherty ◽

R. W. Taft ◽

Michael H. Abraham

Keyword(s):

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Self Association ◽

Linear Solvation

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Linear solvation energy relationships in normal phase chromatography based on gradient separations

Journal of Chromatography A ◽

10.1016/j.chroma.2017.07.095 ◽

2017 ◽

Vol 1516 ◽

pp. 64-70 ◽

Author(s):

Di Wu ◽

Charles A. Lucy

Keyword(s):

Solvation Energy ◽

Normal Phase ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation ◽

Normal Phase Chromatography

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Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography

Chemosphere ◽

10.1016/s0045-6535(02)00100-5 ◽

2002 ◽

Vol 48 (5) ◽

pp. 553-562 ◽

Author(s):

Feng Xu ◽

Xinmiao Liang ◽

Bingcheng Lin ◽

Fan Su ◽

Karl-Werner Schramm ◽

...

Keyword(s):

Organic Compounds ◽

Column Chromatography ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Soil Leaching ◽

Hydrophobic Organic Compounds ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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ChemInform Abstract: Linear Solvation Energy Relationships. Part 39. A Multiple Substituent Parameter Equation for β-Values (Hydrogen-Bond Acceptor Basicities) of XYZP=O Compounds.

10.1002/chin.198840036 ◽

1988 ◽

Vol 19 (40) ◽

Author(s):

R. W. TAFT ◽

W. J. SHUELY ◽

R. M. DOHERTY ◽

M. J. KAMLET

Keyword(s):

Hydrogen Bond ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Hydrogen Bond Acceptor ◽

Parameter Equation ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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