{"@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#", "afq": "http://purl.allotrope.org/ontologies/quality#", "enm": "http://purl.enanomapper.org/onto/"}, {"@base": "https://srdata.unf.edu/solubility/api/compilation/1066/jsonld#"}], "@id": "", "generatedAt": "08-19-26 02:12:42", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/1066/jsonld#", "@type": "sdo:scidataFramework", "uid": "38_56", "title": "Solubility data from IUPAC SDS Volume 38 (page ?) - Ethylbenzene with Water", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "Glenn T. Hefter", "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:datagroup", "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: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": "Solubilities were calculated from partition coefficient measurements for the hydrocarbon between an aqueous solution and its vapor using headspace chromatography. The apparatus and the method of obtaining the partition coefficents are described in detail in the paper. Basically, the hydrocarbon was introduced as a vapor (to avoid emulsification) into a glass equilibration cell containing about 45 mL of water. The vapor was subsequently analysed by gas chromatography using He as the carrier. Possible sources of error are discussed in detail although the source of vapor pressure data used to calculate solubilities are not given.", "references": []}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "name": "Ethylbenzene", "formula": "C8H10", "casrn": "100-41-4", "iupacname": "ethylbenzene", "inchikey": "YNQLUTRBYVCPMQ-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "name": "Water", "formula": "H2O", "casrn": "7732-18-5", "iupacname": "oxidane", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "Ethylbenzene", "description": "99.99 mole% purity; source and methods of purification not specified.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "Water", "description": "distilled.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "Ethylbenzene 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/", "text": null}, {"@id": "condition/2/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "1.18e+01", "significand": 1.18, "exponent": 1, "sigfigs": 3}, {"@id": "condition/3/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "1.21e+01", "significand": 1.21, "exponent": 1, "sigfigs": 3}, {"@id": "condition/4/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "1.51e+01", "significand": 1.51, "exponent": 1, "sigfigs": 3}, {"@id": "condition/5/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "1.79e+01", "significand": 1.79, "exponent": 1, "sigfigs": 3}, {"@id": "condition/6/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.01e+01", "significand": 2.01, "exponent": 1, "sigfigs": 3}]}, "dataset": {"@id": "dataset/", "@type": "sdo:dataset", "datagroup": [{"@id": "datagroup/1/", "@type": "sdo:datagroup", "label": "Datagroup 1", "mixture#": "mixture/1/", "datapoints": ["datapoint/1/", "datapoint/2/", "datapoint/3/", "datapoint/4/", "datapoint/5/", "datapoint/6/", "datapoint/7/", "datapoint/8/", "datapoint/9/"]}], "datapoint": [{"@id": "datapoint/1/", "@type": "sdo:datapoint", "uid": "38:056:001:001:001", "conditions#": ["condition/1/"], "data": [{"@id": "datapoint/1/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/1/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.96e-02", "significand": 1.96, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/1/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/1/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.33e-05", "significand": 3.33, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/2/", "@type": "sdo:datapoint", "uid": "38:056:001:001:002", "conditions#": ["condition/2/"], "data": [{"@id": "datapoint/2/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/2/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.92e-02", "significand": 1.92, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/2/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/2/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.26e-05", "significand": 3.26, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/3/", "@type": "sdo:datapoint", "uid": "38:056:001:001:003", "conditions#": ["condition/3/"], "data": [{"@id": "datapoint/3/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/3/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.86e-02", "significand": 1.86, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/3/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/3/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.16e-05", "significand": 3.16, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/4/", "@type": "sdo:datapoint", "uid": "38:056:001:001:004", "conditions#": ["condition/4/"], "data": [{"@id": "datapoint/4/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/4/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.87e-02", "significand": 1.87, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/4/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/4/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.18e-05", "significand": 3.18, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/5/", "@type": "sdo:datapoint", "uid": "38:056:001:001:005", "conditions#": ["condition/5/"], "data": [{"@id": "datapoint/5/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/5/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.81e-02", "significand": 1.81, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/5/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/5/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.07e-05", "significand": 3.07, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/6/", "@type": "sdo:datapoint", "uid": "38:056:001:001:006", "conditions#": ["condition/6/"], "data": [{"@id": "datapoint/6/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/6/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.83e-02", "significand": 1.83, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/6/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/6/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.11e-05", "significand": 3.11, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/7/", "@type": "sdo:datapoint", "uid": "38:056:001:001:007", "conditions#": ["condition/7/"], "data": [{"@id": "datapoint/7/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/7/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.80e-02", "significand": 1.8, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/7/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/7/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.06e-05", "significand": 3.06, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/8/", "@type": "sdo:datapoint", "uid": "38:056:001:001:008", "conditions#": ["condition/8/"], "data": [{"@id": "datapoint/8/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/8/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.84e-02", "significand": 1.84, "exponent": -2, "sigfigs": 3}}, {"@id": "datapoint/8/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/8/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.12e-05", "significand": 3.12, "exponent": -5, "sigfigs": 3}}]}, {"@id": "datapoint/9/", "@type": "sdo:datapoint", "uid": "38:056:001:001:009", "conditions#": ["condition/9/"], "data": [{"@id": "datapoint/9/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (1)", "value": {"@id": "datapoint/9/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.8e-02", "significand": 1.8, "exponent": -2, "sigfigs": 2}}, {"@id": "datapoint/9/datum/2/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/9/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.1e-05", "significand": 3.1, "exponent": -5, "sigfigs": 2}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Brown, R. L.; Wasik, S. P.; J. Res. Natl. Bur. Stan. 1974, 78A, 453-60.", "doi": "10.6028/jres.078a.028", "url": "https://doi.org/10.6028/jres.078a.028"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 38 (page ?) - Ethylbenzene 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/"}]}}