{"compilation": {"title": "Solubility data from IUPAC SDS Volume 71 (page ?) - Nitromethane with Esters (C14)", "publisher": "The International Union of Pure and Applied Chemistry", "keywords": "Solubility, Solubility data series", "compilers": "Valerii P. Sazonov", "sources": [{"citation": "Schmid, H. H. O.; Mangold, H. K.; Lundberg, W. O.; Microchem. J. 9, 134-144 (1965).", "pubtype": "paper", "url": "https://doi.org/10.1016/0026-265x(65)90094-9"}], "system": "Nitromethane with Esters (C14)", "substances": [{"constituent": 1, "name": "Nitromethane", "formula": "CH3NO2 ", "molweight": 61.04, "casrn": "75-52-5", "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3", "inchikey": "LYGJENNIWJXYER-UHFFFAOYSA-N", "sample": "Fisher Scientific Co.; certified, No. N-98; $n_{D}^{20}$ = 1.3820, $\\rho^{20} = \\pu{1134 g L-1}$."}, {"constituent": 2, "name": "Ethyl dodecanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "106-33-2", "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3", "inchikey": "MMXKVMNBHPAILY-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Undecyl propanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "5458-33-3", "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-13H2,1-2H3", "inchikey": "YYOMLCJPYHLLRY-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Decyl butanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "5454-09-1", "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3", "inchikey": "PUCQHFICPFUPKW-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Undecanoic acid, propyl ester", "formula": "C14H28O2", "molweight": 228.371, "casrn": "487061-22-3", "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-13H2,1-2H3", "inchikey": "ILQYZJGHYZFJPP-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Butyl decanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "30673-36-0", "inchi": "InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3", "inchikey": "ZRNCNTSXSYXHOW-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Octyl hexanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "4887-30-3", "inchi": "InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3", "inchikey": "CMNMHJVRZHGAAK-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Hexyl octanoate", "formula": "C14H28O2", "molweight": 228.371, "casrn": "1117-55-1", "inchi": "InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3", "inchikey": "PBGWNXWNCSSXCO-UHFFFAOYSA-N", "sample": "Ethyl and butyl esters purchased from Applied Science Laboratories, propyl and hexyl esters, propanoate prepared by direct esterification, other esters synthesized by transesterification; purified."}], "method": "The synthetic method was used. A Reichert microscope, type RCH, equipped with a heating stage was used as described in Schmid, et al. [1]. The disappearance and reappearance of the interface between (1) and (2) could be observed without difficulty.", "reference": {"citation": "Schmid, H. H. O.; Mangold, H. K.; Lundberg, W. O.; J. Am. Oil Chem. Soc. 42, 372 (1965).", "pubtype": "paper", "url": "https://doi.org/10.1007/bf02635572"}, "dataset": [{"series": 1, "title": "Upper critical solution temperatures of the systems nitromethane + ester", "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "1.80e+01", "significand": "1.80", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.912e+02", "significand": "2.912", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "1.80e+01", "significand": "1.80", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.912e+02", "significand": "2.912", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "2.20e+01", "significand": "2.20", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.952e+02", "significand": "2.952", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 4, "conditions": [{"property": "Ambient temperature", "number": "2.25e+01", "significand": "2.25", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.957e+02", "significand": "2.957", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 5, "conditions": [{"property": "Ambient temperature", "number": "2.50e+01", "significand": "2.50", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.982e+02", "significand": "2.982", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 6, "conditions": [{"property": "Ambient temperature", "number": "2.55e+01", "significand": "2.55", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "2.987e+02", "significand": "2.987", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 7, "conditions": [{"property": "Ambient temperature", "number": "2.70e+01", "significand": "2.70", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.002e+02", "significand": "3.002", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}]}]}}