Solvatochromic linear solvation energy relationships for gas-liquid partition coefficients

Sarah C. Rutan; Peter W. Carr; Robert W. Taft

doi:10.1021/j100347a075

Solvatochromic linear solvation energy relationships for gas-liquid partition coefficients

The Journal of Physical Chemistry ◽

10.1021/j100347a075 ◽

1989 ◽

Vol 93 (10) ◽

pp. 4292-4297 ◽

Cited By ~ 23

Author(s):

Sarah C. Rutan ◽

Peter W. Carr ◽

Robert W. Taft

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Estimating Partition Coefficients for Fuel−Water Systems: Developing Linear Solvation Energy Relationships Using Linear Solvent Strength Theory To Handle Mixtures

Environmental Science & Technology ◽

10.1021/es048901l ◽

2005 ◽

Vol 39 (8) ◽

pp. 2702-2710 ◽

Cited By ~ 12

Author(s):

J. Samuel Arey ◽

Philip M. Gschwend

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Water Systems ◽

Linear Solvation Energy Relationships ◽

Strength Theory ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Solvent Strength ◽

Linear Solvation

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Intrinsic Molecular Volume as a Measure of the Cavity Term in Linear Solvation Energy Relationships: Octanol-Water Partition Coefficients and Aqueous Solubilities

Journal of Pharmaceutical Sciences ◽

10.1002/jps.2600750702 ◽

1986 ◽

Vol 75 (7) ◽

pp. 629-636 ◽

Cited By ~ 105

Author(s):

David E. Leahy

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Molecular Volume ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Aqueous Solubilities ◽

Linear Solvation

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Predicting low density polyethylene-air partition coefficients using theoretical linear solvation energy relationships

Journal of Water Supply Research and Technology—AQUA ◽

10.2166/aqua.2018.052 ◽

2018 ◽

Vol 67 (8) ◽

pp. 715-723 ◽

Cited By ~ 1

Author(s):

Tengyi Zhu ◽

Mao Li ◽

Jing Wu ◽

Yajun Wang ◽

Rajendra Prasad Singh

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Low Density Polyethylene ◽

Low Density ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Linear solvation energy relationships. 44. Parameter estimation rules that allow accurate prediction of octanol/water partition coefficients and other solubility and toxicity properties of polychlorinated biphenyls and polycyclic aromatic hydrocarbons

Environmental Science & Technology ◽

10.1021/es00170a003 ◽

1988 ◽

Vol 22 (5) ◽

pp. 503-509 ◽

Cited By ~ 93

Author(s):

Mortimer J. Kamlet ◽

Ruth M. Doherty ◽

Peter W. Carr ◽

Donald. Mackay ◽

Michael H. Abraham ◽

...

Keyword(s):

Parameter Estimation ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Partition Coefficients ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Polycyclic Aromatic ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Linear solvation energy relationships. Part 9.—Correlations of gas/liquid partition coefficients with the solvatochromic parameters, π*, α and β

Journal of the Chemical Society Faraday Transactions 1 Physical Chemistry in Condensed Phases ◽

10.1039/f19827801689 ◽

1982 ◽

Vol 78 (6) ◽

pp. 1689 ◽

Cited By ~ 30

Author(s):

Mortimer J. Kamlet ◽

Robert W. Taft ◽

Peter W. Carr ◽

Michael H. Abraham

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Solvatochromic Parameters ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19991727 ◽

1999 ◽

Vol 64 (11) ◽

pp. 1727-1747 ◽

Cited By ~ 7

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.

ChemInform ◽

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 ◽

Cited By ~ 5

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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