{"compilation": {"title": "Solubility data from IUPAC SDS Volume 37 (page 514) - Heptane with Water", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "Glenn T. Hefter", "sources": [{"citation": "Jonsson, J. A.; Vejrosta, J.; Novak, J.; Fluid Phase Equilib. 1982, 9, 279-86.", "pubtype": "paper", "url": "https://doi.org/10.1016/0378-3812(82)80023-x"}], "system": "Heptane with Water", "substances": [{"constituent": 1, "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": "Fluka, >99.7%, 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": "not specified."}], "method": "Air-water partition coefficents were measured by saturating a portion of water by a stream of nitrogen containing a known vapour concentration of 91). After equilibration, the dissolved (1) was absorbed in a porous polymer trap and the entrapped (1) analysed by gas chromatography. The method and apparatus are described in detail in ref 1.", "reference": {"citation": "Vejrosta, J.; Novak, J.; Jonsson, J. A.; Fluid Phase Equil. 1982, 8, 25-35.", "pubtype": "paper", "url": "https://doi.org/10.1016/0378-3812(82)80003-4"}, "dataset": [{"series": 1, "title": "Solubility of heptane in water", "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "1.5e+01", "significand": "1.5", "exponent": "1", "sigfigs": "2", "unit": "&deg;C"}], "data": [{"property": "Relative mass - solution (1)", "number": "2.67e+00", "significand": "2.67", "exponent": "0", "sigfigs": "3", "unit": "mg/kg"}], "supplemental": [{"property": "Mole fraction - Liquid (1)", "number": "4.80e-07", "significand": "4.80", "exponent": "-7", "sigfigs": "3", "unit": "1"}, {"property": "Relative mass - solution (1)", "number": "2.67e-04", "significand": "2.67", "exponent": "-4", "sigfigs": "3", "unit": "g<sub>1</sub>/100 g sln"}]}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "2.0e+01", "significand": "2.0", "exponent": "1", "sigfigs": "2", "unit": "&deg;C"}], "data": [{"property": "Relative mass - solution (1)", "number": "2.57e+00", "significand": "2.57", "exponent": "0", "sigfigs": "3", "unit": "mg/kg"}], "supplemental": [{"property": "Mole fraction - Liquid (1)", "number": "4.62e-07", "significand": "4.62", "exponent": "-7", "sigfigs": "3", "unit": "1"}, {"property": "Relative mass - solution (1)", "number": "2.57e-04", "significand": "2.57", "exponent": "-4", "sigfigs": "3", "unit": "g<sub>1</sub>/100 g sln"}]}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "2.5e+01", "significand": "2.5", "exponent": "1", "sigfigs": "2", "unit": "&deg;C"}], "data": [{"property": "Relative mass - solution (1)", "number": "2.51e+00", "significand": "2.51", "exponent": "0", "sigfigs": "3", "unit": "mg/kg"}], "supplemental": [{"property": "Mole fraction - Liquid (1)", "number": "4.51e-07", "significand": "4.51", "exponent": "-7", "sigfigs": "3", "unit": "1"}, {"property": "Relative mass - solution (1)", "number": "2.51e-04", "significand": "2.51", "exponent": "-4", "sigfigs": "3", "unit": "g<sub>1</sub>/100 g sln"}]}, {"pntnum": 4, "conditions": [{"property": "Ambient temperature", "number": "3.0e+01", "significand": "3.0", "exponent": "1", "sigfigs": "2", "unit": "&deg;C"}], "data": [{"property": "Relative mass - solution (1)", "number": "2.49e+00", "significand": "2.49", "exponent": "0", "sigfigs": "3", "unit": "mg/kg"}], "supplemental": [{"property": "Mole fraction - Liquid (1)", "number": "4.47e-07", "significand": "4.47", "exponent": "-7", "sigfigs": "3", "unit": "1"}, {"property": "Relative mass - solution (1)", "number": "2.49e-04", "significand": "2.49", "exponent": "-4", "sigfigs": "3", "unit": "g<sub>1</sub>/100 g sln"}]}, {"pntnum": 5, "conditions": [{"property": "Ambient temperature", "number": "3.5e+01", "significand": "3.5", "exponent": "1", "sigfigs": "2", "unit": "&deg;C"}], "data": [{"property": "Relative mass - solution (1)", "number": "2.52e+00", "significand": "2.52", "exponent": "0", "sigfigs": "3", "unit": "mg/kg"}], "supplemental": [{"property": "Mole fraction - Liquid (1)", "number": "4.53e-07", "significand": "4.53", "exponent": "-7", "sigfigs": "3", "unit": "1"}, {"property": "Relative mass - solution (1)", "number": "2.52e-04", "significand": "2.52", "exponent": "-4", "sigfigs": "3", "unit": "g<sub>1</sub>/100 g sln"}]}]}]}}