{"compilation": {"title": "Solubility data from IUPAC SDS Volume 58 (page 241) - Buckminsterfullerene with 2-Methylthiophene", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "William E. Acree, Jr.", "sources": [{"citation": "Ruoff, R. S.; Tse, D. S.; Malhotra, R.; Lorents, D. C.; J. Phys. Chem. 1993, 97, 3379-3383.", "pubtype": "paper", "url": "https://doi.org/10.1021/j100115a049"}], "system": "Buckminsterfullerene with 2-Methylthiophene", "substances": [{"constituent": 1, "name": "Buckminsterfullerene", "formula": "C60", "molweight": 720.642, "casrn": "99685-96-8", "inchi": "InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59", "inchikey": "XMWRBQBLMFGWIX-UHFFFAOYSA-N", "sample": "Graphite soot obtained by passing an ac discharge between spectroscopic grade graphite, and sample purified by chromatographic separation on alumina column. Final purity of 99.95% as determined by mass spectrometry."}, {"constituent": 2, "name": "2-methylthiophene", "formula": "C5H6S", "molweight": 98.1661, "casrn": "554-14-3", "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3", "inchikey": "XQQBUAPQHNYYRS-UHFFFAOYSA-N", "sample": "Reagent grade, 99% (or better), chemical source not given, used as received from manufacturer."}], "method": "High performance liquid chromatograph system equipped with an ultraviolet detector and integrator. Excess solute and solvent placed in 1-dram glass bottle and allowed to equilibrate for 24 hours at ambient room temperature with agitation. Saturated solution was filtered through a 0.45 micrometer poly-(tetrafluoroethylene) filter. Concentrations determined via HPLC with uv detection at 340 nm. Stationary phase was a dinitroanilinopropyl column, and a binary toluene/hexane (20:80 by volume) mobile phase was used.", "dataset": [{"series": 1, "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "2.2e+01", "significand": "2.2", "exponent": "1", "sigfigs": "2", "unit": "°C"}], "data": [{"property": "Mole fraction - Liquid (1)", "number": "9.1e-04", "significand": "9.1", "exponent": "-4", "sigfigs": "2", "unit": "1"}], "supplemental": []}]}]}}