{"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; MP = 175.3-177.1°C (cf. [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 [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": []}]}]}}