{"@context": ["https://stuchalk.github.io/scidata/contexts/crg_chemical.jsonld", "https://stuchalk.github.io/scidata/contexts/crg_mixture.jsonld", "https://stuchalk.github.io/scidata/contexts/crg_substance.jsonld", "https://stuchalk.github.io/scidata/contexts/scidata.jsonld", "https://stuchalk.github.io/scidata/contexts/sol.jsonld", {"sdo": "https://stuchalk.github.io/scidata/ontology/scidata.owl#", "w3i": "https://w3id.org/skgo/modsci#", "dc": "http://purl.org/dc/terms/", "qudt": "https://qudt.org/vocab/unit/", "xsd": "http://www.w3.org/2001/XMLSchema#", "gb": "https://goldbook.iupac.org/", "so": "https://stuchalk.github.io/scidata/ontology/solubility.owl#", "ss": "http://semanticscience.org/resource/", "obo": "http://purl.obolibrary.org/obo/", "afrl": "http://purl.allotrope.org/ontologies/role#", "enm": "http://purl.enanomapper.org/onto/"}, {"@base": "https://srdata.unf.edu/solubility/api/compilation/652/jsonld#"}], "@id": "", "generatedAt": "04-18-26 11:35:16", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/652/jsonld#", "@type": "sdo:scidataFramework", "uid": "38_109", "title": "Solubility data from IUPAC SDS Volume 38 (page ?) - Octane with Water", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "Marie C. Haulait-Pirson", "role": "compiler"}], "description": "Compiled solubility data reported in the IUPAC Solubility Data Series", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": ["Solubility", "Solubility data series"], "toc": ["dc:creator", "dc:rights", "dc:source", "sdo:chemical", "sdo:condition", "sdo:constituent", "sdo:datapoint", "sdo:dataset", "sdo:datum", "sdo:methodology", "sdo:mixture", "sdo:numericvalue", "sdo:procedure", "sdo:quantity", "sdo:scidataFramework", "sdo:scientificData", "sdo:substance", "sdo:system"], "ids": ["The saturation vessel is drawn in the original paper. (2) was saturated with (1) via the vapor phase:\r\na few drops of (1) were put on the bottom of a tight-fitting flask containing a small flask filled with water. Complete saturation was reached by shaking overnight in an upright position. Samples were taken from the aqueous solution with a microsyringe through the septum and injected into the gas chromatograph equipped with a flame ionization detector. The gas chromatographic conditions are described in the paper.", "afrl:0000269", "afrl:0000270", "obo:NCIT_C25206", "qudt:DEG_C", "sdo:numericvalue", "w3i:Chemistry", "w3i:PhysicalChemistry", "xsd:float"], "scidata": {"@id": "scidata/", "@type": "sdo:scientificData", "discipline#": "w3i:Chemistry", "subdiscipline#": "w3i:PhysicalChemistry", "methodology": {"@id": "methodology/", "@type": "sdo:methodology", "aspects": [{"@id": "procedure/1/", "@type": "sdo:procedure", "description": "The saturation vessel is drawn in the original paper. (2) was saturated with (1) via the vapor phase:\r\na few drops of (1) were put on the bottom of a tight-fitting flask containing a small flask filled with water. Complete saturation was reached by shaking overnight in an upright position. Samples were taken from the aqueous solution with a microsyringe through the septum and injected into the gas chromatograph equipped with a flame ionization detector. The gas chromatographic conditions are described in the paper."}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "chemname": "Octane", "formula": "C8H18", "casrn": "111-65-9", "iupacname": "octane", "inchikey": "TVMXDCGIABBOFY-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "chemname": "Water", "formula": "H2O", "casrn": "7732-18-5", "iupacname": "oxidane", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "Octane", "description": "Fluka purum.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "Water", "description": "tap-water was refluxed for 8 hours in the presence of KMnO<sub>4</sub> and KOH and distilled. The whole process was repeated once more.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "Octane with Water", "type": "binary system", "constituents": [{"@id": "mixture/1/constituent/1/", "@type": "sdo:constituent", "chemical": "chemical 1", "chemical#": "chemical/1/", "role": "solute", "role#": "afrl:0000270"}, {"@id": "mixture/1/constituent/2/", "@type": "sdo:constituent", "chemical": "chemical 2", "chemical#": "chemical/2/", "role": "solvent", "role#": "afrl:0000269"}]}, {"@id": "quantity/1/", "@type": "sdo:quantity", "quantity": "Ambient temperature", "quantity#": "obo:NCIT_C25206", "unit": "Degree celsius", "unit#": "qudt:DEG_C"}, {"@id": "condition/1/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "5.0e+00", "significand": 5.0, "exponent": 0, "sigfigs": 2}, {"@id": "condition/2/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "1.50e+01", "significand": 1.5, "exponent": 1, "sigfigs": 3}, {"@id": "condition/3/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "4.50e+01", "significand": 4.5, "exponent": 1, "sigfigs": 3}]}, "dataset": {"@id": "dataset/", "@type": "sdo:dataset", "datagroup": [{"@id": "datapoint/1/", "@type": "sdo:datapoint", "label": "Datagroup 1", "mixture#": "mixture/1/", "datapoints": ["datapoint/1/", "datapoint/2/", "datapoint/3/"]}], "datapoint": [{"@id": "datapoint/2/", "@type": "sdo:datapoint", "uid": "38_109_1_1", "conditions#": ["condition/1/"], "data": [{"@id": "datapoint/2/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/2/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.6e-07", "significand": 2.6, "exponent": -7, "sigfigs": 2}}]}, {"@id": "datapoint/3/", "@type": "sdo:datapoint", "uid": "38_109_1_2", "conditions#": ["condition/2/"], "data": [{"@id": "datapoint/3/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/3/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.4e-07", "significand": 1.4, "exponent": -7, "sigfigs": 2}}]}, {"@id": "datapoint/4/", "@type": "sdo:datapoint", "uid": "38_109_1_3", "conditions#": ["condition/3/"], "data": [{"@id": "datapoint/4/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/4/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.9e-07", "significand": 2.9, "exponent": -7, "sigfigs": 2}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Nelson, H. D.; De Ligny, C. L.; Recl. Trav. Chim. Pays-Bas 1968, 87, 528-44.", "doi": "10.1002/recl.19680870505"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 38 (page ?) - Octane with Water", "url": "https://iupac.github.io/SolubilityDataSeries/volumes/SDS-38.pdf"}], "rights": [{"@id": "rights/1/", "@type": "dc:rights", "holder": "The International Union of Pure and Applied Chemistry (IUPAC)", "license": "https://creativecommons.org/licenses/by-nc/4.0/"}]}}