{"compilation": {"title": "Solubility data from IUPAC SDS Volume 38 (page ?) - 3-Methylcholantrene with Water", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "Marie C. Haulait-Pirson", "sources": [{"citation": "Davis, W. W.; Krahl, M. E.; Cloves, G. H. A.; J. Am. Chem. Soc. 1942, 64, 108-10.", "pubtype": "paper", "url": "https://doi.org/10.1021/ja01253a028"}], "system": "3-Methylcholantrene with Water", "substances": [{"constituent": 1, "name": "3-Methylcholantrene", "formula": "C21H16", "molweight": 268.352, "casrn": "56-49-5", "inchi": "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3", "inchikey": "PPQNQXQZIWHJRB-UHFFFAOYSA-N", "sample": "Hoffman La-Roche; used as received; m.p. range 175.3-177.1°C (cf. ref 2)."}, {"constituent": 2, "name": "Water", "formula": "H2O", "molweight": 18.0153, "casrn": "7732-18-5", "inchi": "InChI=1S/H2O/h1H2", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "sample": "Dust-free."}], "method": "The method consisted of preparing serial dilutions of a suspension of (1) in (2) and determining nephelometrically the amount of (1) per unit volume beyond which further dilution caused no reduction in light scattering, which remained equal to that of pure (2). A Bausch and Lomb Dubosque colorimeter model 100-mm was employed. Many details are reported in ref. 1.", "reference": {"citation": "Davis, W. W.; Krahl, M. E.; Cloves, G. H. A., J. Am. Chem. Soc. 1940, 62, 3086.", "pubtype": "paper", "url": "https://doi.org/10.1021/ja01868a054"}, "dataset": [{"series": 1, "title": "Solubility of 3-methylcholanthrene in water", "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "2.7e+01", "significand": "2.7", "exponent": "1", "sigfigs": "2", "unit": "°C"}], "data": [], "supplemental": []}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "2.7e+01", "significand": "2.7", "exponent": "1", "sigfigs": "2", "unit": "°C"}], "data": [], "supplemental": []}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "2.7e+01", "significand": "2.7", "exponent": "1", "sigfigs": "2", "unit": "°C"}], "data": [], "supplemental": []}]}]}}