{"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": "Mackay, D.; Shiu, W. Y.; J. Chem. Eng. Data. 1977, 22, 399-402.", "pubtype": "paper", "url": "https://doi.org/10.1021/je60075a012"}], "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": "Aldrich Chemicals, Eastman Kodak, or K and K Laboratories, commercial highest grade; used as received."}, {"constituent": 2, "name": "Water", "formula": "H2O", "molweight": 18.0153, "casrn": "7732-18-5", "inchi": "InChI=1S/H2O/h1H2", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "sample": "doubly distilled."}], "method": "A saturated solution of (1) in (2) was vigorously stirred in a 250 mL flask for 24 hrs. and subsequently settled at 25 \u00b0C for at least 48 hrs. Then the saturated solution was decanted and filtered and 50-100 mL extracted with approximately 5 mL of cyclohexane in a separatory funnel. After shaking for 2 hrs. the cyclohexane extract was removed for analysis. An Aminco-Browman spectrophotofluorometer (American Instruments Ltd.) was used for analysis. Many details are given in the paper.", "dataset": []}}