{"@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/1105/jsonld#"}], "@id": "", "generatedAt": "08-18-26 04:08:47", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/1105/jsonld#", "@type": "sdo:scidataFramework", "uid": "38_91", "title": "Solubility data from IUPAC SDS Volume 38 (page ?) - 2,2,4-Trimethylpentane 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: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": "The solubility of (1) in (2) was determined by gas chromatography. The solubilityof (2) in (1) was determined by Karl Fischer titration. 50 mL of (1) together with 50 mL of (2) were placed were placed in a 125 mL Hypovial closed with a Teflon coated rubber septum and placed in a constant-temperature water bath. The system was stirred magnetically for 24 hr or was kept in the bath without stirring for at least seven days before samples were taken for analysis. Details of the analysis are given in the paper.", "references": []}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "name": "2,2,4-Trimethylpentane", "formula": "C8H18", "casrn": "540-84-1", "iupacname": "2,2,4-trimethylpentane", "inchikey": "NHTMVDHEPJAVLT-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": "2,2,4-Trimethylpentane", "description": "Phillips Petroleum Co.; pure grade reagent (99%+); shaken three times with distilled water.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "Water", "description": "Distilled.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "2,2,4-Trimethylpentane 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": "2.5e+01", "significand": 2.5, "exponent": 1, "sigfigs": 2}, {"@id": "condition/3/", "@type": "sdo:condition", "quantity#": "quantity/2/", "text": null}, {"@id": "condition/4/", "@type": "sdo:condition", "quantity#": "quantity/2/", "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/2/"]}, {"@id": "datagroup/2/", "@type": "sdo:datagroup", "label": "Datagroup 2", "mixture#": "mixture/1/", "datapoints": ["datapoint/3/", "datapoint/4/"]}], "datapoint": [{"@id": "datapoint/1/", "@type": "sdo:datapoint", "uid": "38:091:001:001:001", "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": "2.46e+00", "significand": 2.46, "exponent": 0, "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": "3.88e-07", "significand": 3.88, "exponent": -7, "sigfigs": 3}}]}, {"@id": "datapoint/2/", "@type": "sdo:datapoint", "uid": "38:091:001:001:002", "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": "2.05e+00", "significand": 2.05, "exponent": 0, "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": "3.23e-07", "significand": 3.23, "exponent": -7, "sigfigs": 3}}]}, {"@id": "datapoint/3/", "@type": "sdo:datapoint", "uid": "38:091:001:002:001", "conditions#": ["condition/3/"], "data": [{"@id": "datapoint/3/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/3/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.3e+01", "significand": 2.3, "exponent": 1, "sigfigs": 2}}, {"@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": "1.46e-04", "significand": 1.46, "exponent": -4, "sigfigs": 3}}]}, {"@id": "datapoint/4/", "@type": "sdo:datapoint", "uid": "38:091:001:002:002", "conditions#": ["condition/4/"], "data": [{"@id": "datapoint/4/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/4/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8e+01", "significand": 8.0, "exponent": 1, "sigfigs": 1}}, {"@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": "5.07e-04", "significand": 5.07, "exponent": -4, "sigfigs": 3}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Polak, J.; Lu, B. C. Y.; Can. J. Chem. 1973, 51, 4018-23.", "doi": "10.1139/v73-599", "url": "https://doi.org/10.1139/v73-599"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 38 (page ?) - 2,2,4-Trimethylpentane 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/"}]}}