{"@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/4175/jsonld#"}], "@id": "", "generatedAt": "08-17-26 04:28:14", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/4175/jsonld#", "@type": "sdo:scidataFramework", "uid": "71_125", "title": "Solubility data from IUPAC SDS Volume 71 (page 1249) - Nitromethane with 4-Butyl-2-octene", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "Valerii P. Sazonov", "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:methodology", "sdo:mixture", "sdo:procedure", "sdo:quantity", "sdo:scidataFramework", "sdo:scientificData", "sdo:substance", "sdo:system"], "ids": ["afrl:0000269", "afrl:0000270", "enm:ENM_9000100", "obo:NCIT_C25206", "qudt:DEG_C", "qudt:K", "w3i:Chemistry", "w3i:PhysicalChemistry"], "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 synthetic method was used. Miscibility was determined in a glass-stoppered tube of 4 mm inside diameter. Equal volumes (0.1 mL) of (1) and (2) were measured into the tube which was then strapped to a thermometer, warmed to 5 or 10 \u00b0C above the solubility temperature, mixed well by shaking, and then allowed to cool slowly, still shaking, in a bath of white oil (above 30 \u00b0C) or water (below 30 \u00b0C).", "references": []}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "name": "Nitromethane", "formula": "CH3NO2 ", "casrn": "75-52-5", "iupacname": "nitromethane", "inchikey": "LYGJENNIWJXYER-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "name": "4-Butyl-2-octene", "formula": "C12H24", "casrn": null, "inchikey": "PEIBXMZAROYFKI-UHFFFAOYSA-N", "iupacname": "5-prop-1-enylnonane"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "Nitromethane", "description": "Not specified.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "4-Butyl-2-octene", "description": "2-pentene synthesized in the Research Lab of Organic Chemistry Massachusetts Institute of Technology; some alkenes (*) were obtained from Dr. H. E. Buc, Standard Oil Development Co.; the others were the purest commercial samples available from BDH.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "Nitromethane with 4-Butyl-2-octene", "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": "Kelvin", "unit#": "qudt:K"}, {"@id": "quantity/2/", "@type": "sdo:quantity", "quantity": "Boiling point", "quantity#": "enm:ENM_9000100", "unit": "Degree celsius", "unit#": "qudt:DEG_C"}, {"@id": "condition/1/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "3.80e+02", "significand": 3.8, "exponent": 2, "sigfigs": 3}, {"@id": "condition/2/", "@type": "sdo:condition", "quantity#": "quantity/2/", "text": "197-198"}]}, "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": "71:125:013:001:001", "conditions#": ["condition/1/", "condition/2/"]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Mulliken, S. P.; Wakeman, R. L.; Recl. Trav. Chim. Pays-Bas, 54, 366-72 (1935).", "doi": "10.1002/recl.19350540508", "url": "https://doi.org/10.1002/recl.19350540508"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 71 (page 1249) - Nitromethane with 4-Butyl-2-octene", "url": "https://doi.org/10.1063/1.1329911"}], "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/"}]}}