IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Glass Ball as Bullet Solubility System: 3-Methylcholantrene with Water
Components:
   (1) Water; H2O; [7732-18-5]  NIST Chemistry WebBook for detail
   (2) 3-Methylcholantrene; C21H16; [56-49-5]  NIST Chemistry WebBook for detail
Evaluator:
   G.T. Hefter, School of Mathematical and Physical Sciences, Murdoch University, Perth, W.A., Australia.
A. Maczynski, Institute of Physical Sciences, Warszawa, Poland.

 Critical Evaluation:
   Quantitative solubility data for 3-methyolcholanthrene (1) in water (2) have been reported in the publications listed in Table 1. No data are available on the solubility of water in 3-methylcholanthrene.

The original data and related information in both of these publications are compiled in the Data Sheets immediately following this Critical Evaluation. The data are also summarized in Table 2 below. Unfortunately the available data, obtained at slightly different temperatures are in poor agreement. Although the values of Mackay and Shiu (ref 2) are generally more reliable than those of Davis et al. (ref 1) the system is not sufficiently well-characterized to justify a preference at this stage and no “best” values have been nominated.



 Experimental Data:   (Notes on the Nomenclature)
Table 1. Quantitative Solubility Studies of 3-Methylcholanthrene (1) in Water (2)
AuthorT/KReferenceMethod
Davis et al.3001nephelometric
Mackay and Shiu2983spectrofluorometric
Table 2. Reported Solubility Values of 3-Methylchlanthrene (1) in Water (2)
T/KReferenceSol. PowerSolubilitySol. Notex1 Powerx1x1 Note
298272.9 g(1)/100g slna101.9a
300171.5 g(1)/100g slna101.0a
 Notes:
Table 2a  No "best" values nominated because of uncertainties in the available data, see text.

 References: (Click a link to see its experimental data associated with the reference)
   1  Davis, W.W.; Krahl, M.E.; Cloves, G.H.A., J. Am. Chem. Soc. 1942, 64, 108-10.
   2  Mackay, D.; Shiu, W.Y., J. Chem. Eng. Data. 1977, 22, 399-402.