{"compilation": {"title": "Solubility data from IUPAC SDS Volume 68 (page ?) - 1-Chlorohexane with Water", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "Ari L. Horvath", "sources": [{"citation": "Leighton, D. T.; Calo, J. M.; J. Chem. Eng. Data 1981, 26, 382-5.", "pubtype": "paper", "url": "https://doi.org/10.1021/je00026a010"}], "system": "1-Chlorohexane with Water", "substances": [{"constituent": 2, "name": "Water", "formula": "H2O", "molweight": 18.0153, "casrn": "7732-18-5", "inchi": "InChI=1S/H2O/h1H2", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "sample": "distilled."}, {"constituent": 1, "name": "1-Chlorohexane", "formula": "C6H13C1", "molweight": 120.62, "casrn": "544-10-5", "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3", "inchikey": "MLRVZFYXUZQSRU-UHFFFAOYSA-N", "sample": "Source and purity not given."}], "method": "A 5 \u03bcL 1-chlorohexane sample was injected into a 2.3 L equilibration cell containing distilled water. After the cell was shaken vigorously for about 5 minutes, the homogeneity of the liquid sample was maintained with a magnetic stirrer. Compressed air was passed through the cell and the gas flow was measured with a soap film flowmeter. The 1-chlorohexane content was extracted and analyzed using a dual flame ionization detector gas chromatograph.", "dataset": [{"series": 1, "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "1e+00", "significand": "1", "exponent": "0", "sigfigs": "1", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "3.687e-03", "significand": "3.687", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "5.507e-06", "significand": "5.507", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "3.995e+02", "significand": "3.995", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "3e+00", "significand": "3", "exponent": "0", "sigfigs": "1", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "4.946e-03", "significand": "4.946", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "7.387e-06", "significand": "7.387", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "3.655e+02", "significand": "3.655", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "1.24e+01", "significand": "1.24", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "5.645e-03", "significand": "5.645", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "8.432e-06", "significand": "8.432", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "6.683e+02", "significand": "6.683", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 4, "conditions": [{"property": "Ambient temperature", "number": "1.25e+01", "significand": "1.25", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "5.248e-03", "significand": "5.248", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "7.839e-06", "significand": "7.839", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "7.284e+02", "significand": "7.284", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 5, "conditions": [{"property": "Ambient temperature", "number": "1.79e+01", "significand": "1.79", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "6.187e-03", "significand": "6.187", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "9.241e-06", "significand": "9.241", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "8.732e+02", "significand": "8.732", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 6, "conditions": [{"property": "Ambient temperature", "number": "1.91e+01", "significand": "1.91", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "5.929e-03", "significand": "5.929", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "8.855e-06", "significand": "8.855", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "9.697e+02", "significand": "9.697", "exponent": "2", "sigfigs": "4", "unit": "1"}]}, {"pntnum": 7, "conditions": [{"property": "Ambient temperature", "number": "2.27e+01", "significand": "2.27", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "6.237e-03", "significand": "6.237", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "9.316e-06", "significand": "9.316", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "1.1614e+03", "significand": "1.1614", "exponent": "3", "sigfigs": "5", "unit": "1"}]}, {"pntnum": 8, "conditions": [{"property": "Ambient temperature", "number": "2.30e+01", "significand": "2.30", "exponent": "1", "sigfigs": "3", "unit": "°C"}], "data": [], "supplemental": [{"property": "Percent mass fraction (1)", "number": "5.783e-03", "significand": "5.783", "exponent": "-3", "sigfigs": "4", "unit": "1"}, {"property": "Mole fraction - Liquid (1)", "number": "8.638e-06", "significand": "8.638", "exponent": "-6", "sigfigs": "4", "unit": "1"}, {"property": "Distribution Coefficient (gas/liquid)", "number": "1.2677e+03", "significand": "1.2677", "exponent": "3", "sigfigs": "5", "unit": "1"}]}]}]}}