{"@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/3787/jsonld#"}], "@id": "", "generatedAt": "04-18-26 17:50:26", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/3787/jsonld#", "@type": "sdo:scidataFramework", "uid": "69_229", "title": "Solubility data from IUPAC SDS Volume 69 (page ?) - 1-Butanol with n-Hexane and Water", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "Adam Skrzecz", "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": ["afrl:0000269", "afrl:0000270", "obo:NCIT_C25206", "qudt:K", "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 titration method was used. The composition of the organic-rich phase was presented; the composition of the water-rich phase was not investigated."}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "chemname": "1-Butanol", "formula": "C4H10O", "casrn": "71-36-3", "iupacname": "butan-1-ol", "inchikey": "LRHPLDYGYMQRHN-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "chemname": "Hexane", "formula": "C6H14", "casrn": "110-54-3", "iupacname": "hexane", "inchikey": "VLKZOEOYAKHREP-UHFFFAOYSA-N"}, {"@id": "substance/3/", "@type": "sdo:substance", "chemname": "Water", "formula": "H2O", "casrn": "7732-18-5", "iupacname": "oxidane", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "1-Butanol", "description": "Source not specified; dried, distilled, n(20°C,D)=1.3991, d(25°C,4°C)=0.8010.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "Hexane", "description": "Source not specified; twice distilled, n(20°C,D)=1.3748, d(25°C,4°C)=0.6544.", "substance#": "substance/2/"}, {"@id": "chemical/3/", "@type": "sdo:chemical", "name": "Water", "description": "Doubly distilled.", "substance#": "substance/3/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "1-Butanol with n-Hexane and Water", "type": "ternary 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": "solute", "role#": "afrl:0000270"}, {"@id": "mixture/1/constituent/3/", "@type": "sdo:constituent", "chemical": "chemical 3", "chemical#": "chemical/3/", "role": "solvent", "role#": "afrl:0000269"}]}, {"@id": "quantity/1/", "@type": "sdo:quantity", "quantity": "Ambient temperature", "quantity#": "obo:NCIT_C25206", "unit": "Kelvin", "unit#": "qudt:K"}, {"@id": "condition/1/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "3.332e+02", "significand": 3.332, "exponent": 2, "sigfigs": 4}]}, "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/4/", "datapoint/5/", "datapoint/6/", "datapoint/7/"]}], "datapoint": [{"@id": "datapoint/2/", "@type": "sdo:datapoint", "uid": "69_229_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": "4.875e-01", "significand": 4.875, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/2/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/2/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "4.25e-02", "significand": 4.25, "exponent": -2, "sigfigs": 3}}]}, {"@id": "datapoint/3/", "@type": "sdo:datapoint", "uid": "69_229_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": "4.890e-01", "significand": 4.89, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/3/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/3/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "4.69e-02", "significand": 4.69, "exponent": -2, "sigfigs": 3}}]}, {"@id": "datapoint/4/", "@type": "sdo:datapoint", "uid": "69_229_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": "5.055e-01", "significand": 5.055, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/4/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/4/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.087e-01", "significand": 1.087, "exponent": -1, "sigfigs": 4}}]}, {"@id": "datapoint/5/", "@type": "sdo:datapoint", "uid": "69_229_1_4", "conditions#": ["condition/4/"], "data": [{"@id": "datapoint/5/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/5/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "4.980e-01", "significand": 4.98, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/5/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/5/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.840e-01", "significand": 1.84, "exponent": -1, "sigfigs": 4}}]}, {"@id": "datapoint/6/", "@type": "sdo:datapoint", "uid": "69_229_1_5", "conditions#": ["condition/5/"], "data": [{"@id": "datapoint/6/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/6/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "4.193e-01", "significand": 4.193, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/6/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/6/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.607e-01", "significand": 3.607, "exponent": -1, "sigfigs": 4}}]}, {"@id": "datapoint/7/", "@type": "sdo:datapoint", "uid": "69_229_1_6", "conditions#": ["condition/6/"], "data": [{"@id": "datapoint/7/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/7/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.902e-01", "significand": 2.902, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/7/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/7/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "5.827e-01", "significand": 5.827, "exponent": -1, "sigfigs": 4}}]}, {"@id": "datapoint/8/", "@type": "sdo:datapoint", "uid": "69_229_1_7", "conditions#": ["condition/7/"], "data": [{"@id": "datapoint/8/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/8/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.010e-01", "significand": 1.01, "exponent": -1, "sigfigs": 4}}, {"@id": "datapoint/8/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/8/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8.340e-01", "significand": 8.34, "exponent": -1, "sigfigs": 4}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Morozov, A. V.; Sarkisov, A. G.;Turovskii, V. B.; Ilyaskin, V. I.; Dep. Doc. VINITI 102-78, 1 (1978)."}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 69 (page ?) - 1-Butanol with n-Hexane and Water", "url": "https://doi.org/10.1063/1.556052"}], "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/"}]}}