{"@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/71/jsonld#"}], "@id": "", "generatedAt": "08-19-26 22:36:56", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/71/jsonld#", "@type": "sdo:scidataFramework", "uid": "20_162", "title": "Solubility data from IUPAC SDS Volume 20 (page 189) - 2-Chlorophenol with Water", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "A. Vesala", "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": ["afq:AFQ_0000168", "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 equilibrium was performed in sealed stainless steel centrifuge tubes with constant or intermittent shaking. The equilibrium was generally complete within one week. The mixture was then centrifuged for 60 minutes after which aliquots of the solution were removed for analysis either by a pipet or syringe. Liquid scintillation counting with $\\ce{^{14}C}$-labeled solute was employed in the solubility determinations. The entire procedure was carried out at least twice and each analysis was also conducted in duplicate. ", "references": []}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "name": "Water", "formula": "H2O", "casrn": "7732-18-5", "iupacname": "oxidane", "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "name": "2-Chlorophenol", "formula": "C6H5ClO", "casrn": "95-57-8", "iupacname": "2-chlorophenol", "inchikey": "ISPYQTSUDJAMAB-UHFFFAOYSA-N"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "2-Chlorophenol", "description": "Commercial reagent, the $\\ce{^{14}C}$-labeled compound was purchased by NEN, the non-labeled by Aldrich.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "Water", "description": "Distilled.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "2-Chlorophenol with Water", "type": "binary system", "constituents": [{"@id": "mixture/1/constituent/1/", "@type": "sdo:constituent", "chemical": "chemical 2", "chemical#": "chemical/2/", "role": "solvent", "role#": "afrl:0000269"}, {"@id": "mixture/1/constituent/2/", "@type": "sdo:constituent", "chemical": "chemical 1", "chemical#": "chemical/1/", "role": "solute", "role#": "afrl:0000270"}]}, {"@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": "2.5e+01", "significand": 2.5, "exponent": 1, "sigfigs": 2}]}, "dataset": {"@id": "dataset/", "@type": "sdo:dataset", "datagroup": [{"@id": "datagroup/1/", "@type": "sdo:datagroup", "label": "Datagroup 1", "mixture#": "mixture/1/", "datapoints": ["datapoint/1/"]}], "datapoint": [{"@id": "datapoint/1/", "@type": "sdo:datapoint", "uid": "20:162:001:001:001", "conditions#": ["condition/1/"], "data": [{"@id": "datapoint/1/datum/1/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (1)", "value": {"@id": "datapoint/1/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.611e-03", "significand": 1.611, "exponent": -3, "sigfigs": 4}}, {"@id": "datapoint/1/datum/2/", "@type": "sdo:datum", "quantity": "Amount concentration (1)", "quantity#": "afq:AFQ_0000168", "value": {"@id": "datapoint/1/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8.83e-02", "significand": 8.83, "exponent": -2, "sigfigs": 3}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Banerjee, S.; Yalkowsky, S. H.; Valvani, S. C.; Environ. Sci. Technol. 1980, 14, 1227-9.", "doi": "10.1021/es60170a013", "url": "https://doi.org/10.1021/es60170a013"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 20 (page 189) - 2-Chlorophenol with Water", "url": "https://iupac.github.io/SolubilityDataSeries/volumes/SDS-20.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/"}]}}