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The n-octanol-water partition coefficient, K ow is a partition coefficient for the two-phase system consisting of n-octanol and water. [1] K ow is also frequently referred to by the symbol P, especially in the English literature. It is also called n-octanol-water partition ratio. [2] [3] [4]
The partition coefficient between n-Octanol and water is known as the n-octanol-water partition coefficient, or K ow. [62] It is also frequently referred to by the symbol P, especially in the English literature. It is also known as n-octanol-water partition ratio. [63] [64] [65]
Bioconcentration factors can also be related to the octanol-water partition coefficient, K ow. The octanol-water partition coefficient (K ow) is correlated with the potential for a chemical to bioaccumulate in organisms; the BCF can be predicted from log K ow, via computer programs based on structure activity relationship (SAR) [7] or through ...
Where: R is the Ideal gas constant (8.314 Pa·m 3 /mol·K); T is the absolute temperature (K); H is the Henry's law constant for the target chemical (Pa/m 3 mol); K ow is the octanol-water partition coefficient for the target chemical (dimensionless ratio); P s is the vapor pressure of the target chemical (Pa); and v is the molar volume of the ...
A calculated octanol-water partition coefficient (Clog P) that does not exceed 5 Note that all numbers are multiples of five, which is the origin of the rule's name. As with many other rules of thumb , such as Baldwin's rules for ring closure, there are many exceptions .
Coefficients for partition between water and solvents wet/dry solvent c e s a b v source w 1-butanol: 0.376 0.434 -0.718 -0.097 -2.350 2.682 [1]w
The distribution of a compound between water and octanol is used to calculate the partition coefficient, P, of that molecule (often expressed as its logarithm to the base 10, log P). Water/octanol partitioning is a relatively good approximation of the partitioning between the cytosol and lipid membranes of living systems. [5]
This quantitative descriptor for microenvironment was derived from the octanol-water partition coefficient, (known as Rekker's Fragmental Constants) widely used for pharmacophores. This scale well correlate with the existing methods, based on partitioning and free energy computations.