{"compilation": {"title": "Solubility data from IUPAC SDS Volume 72 (page ?) - Nitromethane with Alkanes (C7-C13) and Water", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "Valerii P. Sazonov", "sources": [{"citation": "Malesinska, B.; Malesinski, W.; Bull. Acad. Pol. Sci.: Ser. Sci. Chim. 11, 475 (1963).", "pubtype": "paper"}], "system": "Nitromethane with Alkanes (C7-C13) and Water", "substances": [{"constituent": 3, "name": "Water", "formula": "H2O", "molweight": 18.0153, "casrn": "7732-18-5", "inchi": "InChI=1S/H2O/h1H2", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 1, "name": "Nitromethane", "formula": "CH3NO2 ", "molweight": 61.04, "casrn": "75-52-5", "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3", "inchikey": "LYGJENNIWJXYER-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Heptane", "formula": "C7H16", "molweight": 100.202, "casrn": "142-82-5", "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", "inchikey": "IMNFDUFMRHMDMM-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Octane", "formula": "C8H18", "molweight": 114.229, "casrn": "111-65-9", "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", "inchikey": "TVMXDCGIABBOFY-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Decane", "formula": "C10H22", "molweight": 142.282, "casrn": "124-18-5", "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", "inchikey": "DIOQZVSQGTUSAI-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Undecane", "formula": "C11H24 ", "molweight": 156.308, "casrn": "1120-21-4", "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", "inchikey": "RSJKGSCJYJTIGS-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Dodecane", "formula": "C12H26", "molweight": 170.335, "casrn": "112-40-3", "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", "inchikey": "SNRUBQQJIBEYMU-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}, {"constituent": 2, "name": "Tridecane", "formula": "C13H28", "molweight": 184.361, "casrn": "629-50-5", "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", "inchikey": "IIYFAKIEWZDVMP-UHFFFAOYSA-N", "sample": "Source not specified; purity not specified."}], "method": "No experimental details given.", "dataset": [{"series": 1, "title": "Maximal temperature of transition from the three- to the two-phase system in ternary nitromethane + alkane + water", "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "1.2250e+02", "significand": "1.2250", "exponent": "2", "sigfigs": "5", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.9565e+02", "significand": "3.9565", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "1.1610e+02", "significand": "1.1610", "exponent": "2", "sigfigs": "5", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.8925e+02", "significand": "3.8925", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "1.0870e+02", "significand": "1.0870", "exponent": "2", "sigfigs": "5", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.8185e+02", "significand": "3.8185", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}, {"pntnum": 4, "conditions": [{"property": "Ambient temperature", "number": "1.0612e+02", "significand": "1.0612", "exponent": "2", "sigfigs": "5", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.7927e+02", "significand": "3.7927", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}, {"pntnum": 5, "conditions": [{"property": "Ambient temperature", "number": "1.0475e+02", "significand": "1.0475", "exponent": "2", "sigfigs": "5", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.7790e+02", "significand": "3.7790", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}, {"pntnum": 6, "conditions": [{"property": "Ambient temperature", "number": "9.870e+01", "significand": "9.870", "exponent": "1", "sigfigs": "4", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.7185e+02", "significand": "3.7185", "exponent": "2", "sigfigs": "5", "unit": "K"}], "data": [], "supplemental": []}]}]}}