Issue 3, 2012

Gas–solvent and water–solvent partition coefficients of the tetraphenyl compounds of group (IV)

Abstract

Literature data on solubilities in organic solvents and vapor pressures at 298 K have been used to obtain gas to solvent partition coefficients for Ph4M (M = C, Si, Ge, Sn, Pb). These partition coefficients together with known equations that relate partition coefficients to Abraham descriptors have been used to calculate the Abraham descriptors E, S, A, B, V and L. It is shown that for tetraphenylmethane the dipolarity/polarizability descriptor, S, is much smaller than anticipated. From the descriptors it is possible to calculate partition coefficients from water to the organic solvents, and from these together with solubilities in organic solvents finally to deduce the aqueous solubility, Cw in mol dm−3, of the Ph4M compounds. The solubilities we calculate for Ph4C and Ph4Ge, log Cw = −10.93 ± 0.58 and −11.12 ± 0.58 respectively, are far smaller than those obtained previously by experiment, log Cw = −7.8 and −7.77, so that our values for watersolvent partition coefficients are much larger than previously suggested. A number of important physico-chemical properties of the Ph4M compounds are also calculated.

Graphical abstract: Gas–solvent and water–solvent partition coefficients of the tetraphenyl compounds of group (IV)

Article information

Article type
Paper
Submitted
07 Oct 2011
Accepted
18 Nov 2011
First published
05 Dec 2011

New J. Chem., 2012,36, 626-631

Gas–solvent and watersolvent partition coefficients of the tetraphenyl compounds of group (IV)

M. H. Abraham and W. E. Acree, New J. Chem., 2012, 36, 626 DOI: 10.1039/C1NJ20863B

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