{"compilation": {"title": "Solubility data from IUPAC SDS Volume 78 (page ?) - Acetonitrile with Esters (C20)", "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": "Acetonitrile with Esters (C20)", "substances": [{"constituent": 1, "name": "Acetonitrile", "formula": "C2H3N", "molweight": 41.052, "casrn": "75-05-8", "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3", "inchikey": "WEVYAHXRMPXWCK-UHFFFAOYSA-N", "sample": "Baker Chemical Co.; reagent No. 9011; $n_{D}^{20}$ = 1.3445, $d_{4}^{20}$ = 0.780."}, {"constituent": 2, "name": "Ethyl octadecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "111-61-5", "inchi": "InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3", "inchikey": "MVLVMROFTAUDAG-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Nonadecyl formate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "66455-49-0", "inchi": "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21/h20H,2-19H2,1H3", "inchikey": "HNKCZZOHAXMGMR-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Octadecyl acetate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "822-23-1", "inchi": "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3", "inchikey": "OIZXRZCQJDXPFO-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Methyl nonadecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "1731-94-8", "inchi": "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3", "inchikey": "BDXAHSJUDUZLDU-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Heptadecyl propanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "66455-48-9", "inchi": "InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(21)4-2/h3-19H2,1-2H3", "inchikey": "CHQQYYTVIJYGOS-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Hexadecyl butanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "6221-99-4", "inchi": "InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-4-2/h3-19H2,1-2H3", "inchikey": "NJVKAQGGBANCKG-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Propyl heptadecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "26718-84-3", "inchi": "InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-4-2/h3-19H2,1-2H3", "inchikey": "SXTULBAGGXUEQH-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Butyl hexadecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "111-06-8", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3", "inchikey": "GLYJVQDYLFAUFC-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Tetradecyl hexanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "71801-23-5", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22-20(21)18-16-6-4-2/h3-19H2,1-2H3", "inchikey": "SMMNCBBCUVMKHP-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Dodecyl octanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "20292-09-5", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3", "inchikey": "OYQTUTLMOLEYNR-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Hexyl tetradecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "42231-99-2", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3", "inchikey": "JIFCVUWJQMDNTN-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Octyl dodecanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "5303-24-2", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3", "inchikey": "BBZAGOMQOSEWBH-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate prepared by direct esterification; other esters synthesized by transesterification; purified."}, {"constituent": 2, "name": "Decyl decanoate", "formula": "C20H40O2", "molweight": 312.53, "casrn": "1654-86-0", "inchi": "InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", "inchikey": "XAKXZZPEUKNHMA-UHFFFAOYSA-N", "sample": "Methyl, ethyl and butyl esters purchased from Applied Science Laboratories; propyl and hexyl esters, formate, acetate, propanoate and butyrate 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 elsewhere [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 binary systems acetonitrile (1) + ester (2)", "points": [{"pntnum": 1, "conditions": [{"property": "Ambient temperature", "number": "5.50e+01", "significand": "5.50", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.282e+02", "significand": "3.282", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 2, "conditions": [{"property": "Ambient temperature", "number": "5.65e+01", "significand": "5.65", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.297e+02", "significand": "3.297", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 3, "conditions": [{"property": "Ambient temperature", "number": "6.10e+01", "significand": "6.10", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.342e+02", "significand": "3.342", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 4, "conditions": [{"property": "Ambient temperature", "number": "6.40e+01", "significand": "6.40", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.372e+02", "significand": "3.372", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 5, "conditions": [{"property": "Ambient temperature", "number": "6.50e+01", "significand": "6.50", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.382e+02", "significand": "3.382", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 6, "conditions": [{"property": "Ambient temperature", "number": "6.80e+01", "significand": "6.80", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.412e+02", "significand": "3.412", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 7, "conditions": [{"property": "Ambient temperature", "number": "6.85e+01", "significand": "6.85", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.417e+02", "significand": "3.417", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 8, "conditions": [{"property": "Ambient temperature", "number": "7.10e+01", "significand": "7.10", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.442e+02", "significand": "3.442", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 9, "conditions": [{"property": "Ambient temperature", "number": "7.15e+01", "significand": "7.15", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.447e+02", "significand": "3.447", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 10, "conditions": [{"property": "Ambient temperature", "number": "7.35e+01", "significand": "7.35", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.467e+02", "significand": "3.467", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 11, "conditions": [{"property": "Ambient temperature", "number": "7.40e+01", "significand": "7.40", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.472e+02", "significand": "3.472", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 12, "conditions": [{"property": "Ambient temperature", "number": "7.50e+01", "significand": "7.50", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.482e+02", "significand": "3.482", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}, {"pntnum": 13, "conditions": [{"property": "Ambient temperature", "number": "7.50e+01", "significand": "7.50", "exponent": "1", "sigfigs": "3", "unit": "°C"}, {"property": "Ambient temperature", "number": "3.482e+02", "significand": "3.482", "exponent": "2", "sigfigs": "4", "unit": "$\\pu{K}$"}], "data": [], "supplemental": []}]}]}}