Linear free energy analysis of the surface tension of organic liquids

Langmuir

Volumn 16, Issue 16, 2000, Pages 6689-6692

  Freitas, Adilson A ^a   Quina, Frank H ^a   Carroll, Felix A ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b DAVIDSON COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDITY; ALKALINITY; FREE ENERGY; HYDROGEN BONDS; MOLECULAR STRUCTURE; ORGANIC SOLVENTS; PARAFFINS; POLARIZATION;

GEOMETRIC MEAN PARAMETERS; LINEAR FREE ENERGY RELATIONSHIP (LSER);

SURFACE TENSION;

EID: 0034247811     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la000289y     Document Type: Article

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20. 15
21. 12), each of which has a more direct chemical interpretation.
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23. Solute parameters were taken from the compilations of Abraham: (a) Abraham, M. H. Chem. Soc. Rev. 1993, 22, 73. (b) Abraham, M. H.; Chadham, H. S.; Whiting, G. S.; Michell, R. C. J. Pharm. Sci. 1994, 83, 1085.
24. C, 0.82, 0.17, 22.
25. Compounds known to exhibit significant three-dimensional hydrogen bonding were purposely excluded from the data set employed to develop eq 6. Inclusion of water and formamide into the data set provided a QSPR that had greatly diminished statistical validity (much smaller F value and much larger errors) and that still failed to provide reasonable predictions of the surface tensions of either water or formamide.
26. C has the same correlation coefficient and average errors as eq 6; the increase in the overall F value (to 410) reflects only the reduction in the number of independent variables from six to five.
27. 2) was recently employed as an independent variable for similar reasons in the development of a QSPR for the aqueous solubility of liquid and solid organic compounds: Abraham, M. H.; Le, J. J. Pharm. Sci. 1999, 88, 868.
28. C, 0.87, 0.17, 26.
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