{"@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/5000/jsonld#"}], "@id": "", "generatedAt": "08-19-26 23:12:54", "version": "1", "@graph": {"@id": "https://srdata.unf.edu/solubility/api/compilation/5000/jsonld#", "@type": "sdo:scidataFramework", "uid": "77_90", "title": "Solubility data from IUPAC SDS Volume 77 (page ?) - Nitroethane with cis-9-Octadecenoic acid", "authors": [{"@id": "author/1/", "@type": "dc:creator", "name": "Valerii P. Sazonov", "role": "compiler"}, {"@id": "author/2/", "@type": "dc:creator", "name": "Nikolai I. Lisov", "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:stringvalue", "sdo:substance", "sdo:system"], "ids": ["afrl:0000269", "obo:NCIT_C25206", "qudt:K", "sdo:numericvalue", "sdo:stringvalue", "w3i:Chemistry", "w3i:PhysicalChemistry", "xsd:float", "xsd:str"], "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. The solubilities of acid were determined by weighing 2 - 5 g portions of the acid into 2 cm x 15 cm Pyrex test-tubes which were fitted with a Nichrome stirrer and a thermocouple well, the test-tube being inserted into a larger tube which served as an air-bath. Upon successive additions of weighed amounts of solvent, the solubilities were determined by measuring the temperatures at which crystals precipitated and dissolved upon alternately cooling and heating the systems in an acetone-dry ice-bath or water-bath as required.", "references": []}]}, "system": {"@id": "system/", "@type": "sdo:system", "facets": [{"@id": "substance/1/", "@type": "sdo:substance", "name": "Nitroethane", "formula": "C2H5NO2", "casrn": "79-24-3", "iupacname": "1-nitroethane", "inchikey": "MCSAJNNLRCFZED-UHFFFAOYSA-N"}, {"@id": "substance/2/", "@type": "sdo:substance", "name": "cis-9-Octadecenoic acid", "formula": "C18H34O2", "casrn": "112-80-1", "iupacname": "(Z)-octadec-9-enoic acid", "inchikey": "ZQPPMHVWECSIRJ-KTKRTIGZSA-N"}, {"@id": "chemical/1/", "@type": "sdo:chemical", "name": "Nitroethane", "description": "Source not specified; best grade reagent; dried and distilled.", "substance#": "substance/1/"}, {"@id": "chemical/2/", "@type": "sdo:chemical", "name": "cis-9-Octadecenoic acid", "description": "Prepared from high quality oil by saponification; purified by recrystallization and by vacuum distillation in packed column; MP = 16.30&deg;C, $n_{D}^{20}$ = 1.4599.", "substance#": "substance/2/"}, {"@id": "mixture/1/", "@type": "sdo:mixture", "name": "Nitroethane with cis-9-Octadecenoic acid", "type": "binary system", "constituents": [{"@id": "mixture/1/constituent/1/", "@type": "sdo:constituent", "chemical": "chemical 1", "chemical#": "chemical/1/", "role": "solvent", "role#": "afrl:0000269"}, {"@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": "condition/1/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.332e+02", "significand": 2.332, "exponent": 2, "sigfigs": 4}, {"@id": "condition/2/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.432e+02", "significand": 2.432, "exponent": 2, "sigfigs": 4}, {"@id": "condition/3/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.532e+02", "significand": 2.532, "exponent": 2, "sigfigs": 4}, {"@id": "condition/4/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.632e+02", "significand": 2.632, "exponent": 2, "sigfigs": 4}, {"@id": "condition/5/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.732e+02", "significand": 2.732, "exponent": 2, "sigfigs": 4}, {"@id": "condition/6/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.832e+02", "significand": 2.832, "exponent": 2, "sigfigs": 4}, {"@id": "condition/7/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "2.932e+02", "significand": 2.932, "exponent": 2, "sigfigs": 4}, {"@id": "condition/8/", "@type": "sdo:condition", "quantity#": "quantity/1/", "number": "3.049e+02", "significand": 3.049, "exponent": 2, "sigfigs": 4}]}, "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": [{"@id": "datapoint/1/", "@type": "sdo:datapoint", "uid": "77:090:001:001:001", "conditions#": ["condition/1/"], "data": [{"@id": "datapoint/1/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/1/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2e-01", "significand": 2.0, "exponent": -1, "sigfigs": 1}}, {"@id": "datapoint/1/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/1/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2e-03", "significand": 2.0, "exponent": -3, "sigfigs": 1}}, {"@id": "datapoint/1/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/1/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1e-03", "significand": 1.0, "exponent": -3, "sigfigs": 1}}]}, {"@id": "datapoint/2/", "@type": "sdo:datapoint", "uid": "77:090:001:001:002", "conditions#": ["condition/2/"], "data": [{"@id": "datapoint/2/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/2/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8e-01", "significand": 8.0, "exponent": -1, "sigfigs": 1}}, {"@id": "datapoint/2/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/2/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8e-03", "significand": 8.0, "exponent": -3, "sigfigs": 1}}, {"@id": "datapoint/2/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/2/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2e-03", "significand": 2.0, "exponent": -3, "sigfigs": 1}}]}, {"@id": "datapoint/3/", "@type": "sdo:datapoint", "uid": "77:090:001:001:003", "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": "1.3e+00", "significand": 1.3, "exponent": 0, "sigfigs": 2}}, {"@id": "datapoint/3/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/3/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.3e-02", "significand": 1.3, "exponent": -2, "sigfigs": 2}}, {"@id": "datapoint/3/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/3/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3e-03", "significand": 3.0, "exponent": -3, "sigfigs": 1}}]}, {"@id": "datapoint/4/", "@type": "sdo:datapoint", "uid": "77:090:001:001:004", "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": "2.2e+00", "significand": 2.2, "exponent": 0, "sigfigs": 2}}, {"@id": "datapoint/4/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/4/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.1e-02", "significand": 2.1, "exponent": -2, "sigfigs": 2}}, {"@id": "datapoint/4/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/4/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "6e-03", "significand": 6.0, "exponent": -3, "sigfigs": 1}}]}, {"@id": "datapoint/5/", "@type": "sdo:datapoint", "uid": "77:090:001:001:005", "conditions#": ["condition/5/"], "data": [{"@id": "datapoint/5/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/5/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.4e+00", "significand": 3.4, "exponent": 0, "sigfigs": 2}}, {"@id": "datapoint/5/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/5/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.3e-02", "significand": 3.3, "exponent": -2, "sigfigs": 2}}, {"@id": "datapoint/5/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/5/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "9e-03", "significand": 9.0, "exponent": -3, "sigfigs": 1}}]}, {"@id": "datapoint/6/", "@type": "sdo:datapoint", "uid": "77:090:001:001:006", "conditions#": ["condition/6/"], "data": [{"@id": "datapoint/6/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/6/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8.7e+00", "significand": 8.7, "exponent": 0, "sigfigs": 2}}, {"@id": "datapoint/6/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/6/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "8.0e-02", "significand": 8.0, "exponent": -2, "sigfigs": 2}}, {"@id": "datapoint/6/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/6/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "2.3e-02", "significand": 2.3, "exponent": -2, "sigfigs": 2}}]}, {"@id": "datapoint/7/", "@type": "sdo:datapoint", "uid": "77:090:001:001:007", "conditions#": ["condition/7/"], "data": [{"@id": "datapoint/7/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/7/datum/1/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.43e+01", "significand": 1.43, "exponent": 1, "sigfigs": 3}}, {"@id": "datapoint/7/datum/2/", "@type": "sdo:datum", "quantity": "Percent mass fraction (2)", "value": {"@id": "datapoint/7/datum/2/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "1.25e-01", "significand": 1.25, "exponent": -1, "sigfigs": 3}}, {"@id": "datapoint/7/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/7/datum/3/value/1/", "@type": "sdo:numericvalue", "datatype": "xsd:float", "number": "3.7e-02", "significand": 3.7, "exponent": -2, "sigfigs": 2}}]}, {"@id": "datapoint/8/", "@type": "sdo:datapoint", "uid": "77:090:001:001:008", "conditions#": ["condition/8/"], "data": [{"@id": "datapoint/8/datum/1/", "@type": "sdo:datum", "quantity": "Relative mass - solution (2)", "value": {"@id": "datapoint/8/datum/1/value/1/", "@type": "sdo:stringvalue", "datatype": "xsd:str", "text": "-"}}, {"@id": "datapoint/8/datum/2/", "@type": "sdo:datum", "quantity": "Mass fraction (2)", "value": {"@id": "datapoint/8/datum/2/value/1/", "@type": "sdo:stringvalue", "datatype": "xsd:str", "text": "-"}}, {"@id": "datapoint/8/datum/3/", "@type": "sdo:datum", "quantity": "Mole fraction - Liquid (2)", "value": {"@id": "datapoint/8/datum/3/value/1/", "@type": "sdo:stringvalue", "datatype": "xsd:str", "text": "-"}}]}]}}, "sources": [{"@id": "source/1/", "@type": "dc:source", "citation": "Hoerr, C. W.; Harwood, H. J.; J. Phys. Chem. 56, 1068-73 (1952).", "doi": "10.1021/j150501a008", "url": "https://doi.org/10.1021/j150501a008"}, {"@id": "source/2/", "@type": "dc:source", "citation": "Solubility data from IUPAC SDS Volume 77 (page ?) - Nitroethane with cis-9-Octadecenoic acid", "url": "https://doi.org/10.1063/1.1417522"}], "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/"}]}}