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[null,null,null,null,"Fedor's Group Contribution Method for Solubility Parameter"]
[null,null,null,null,null,null,null,"For Educational Use Only!"]
[null,null,null,null,null,"Report errors to R. L. Smith;  Email: smith@scf.che.tohoku.ac.jp"]
[]
[null,null,null,null,"GROUP CONTRIBUTIONS TO THE MOLAR VAPORIZATION ENERGY "]
[null,null,null,null,"AND MOLAR VOLUME AT 25oC "]
[null,null,null,null,"Groups","Enter Number",null,null,null,null,null,null,null,null,null,"Group Subtotals:"]
["DU [kJ/mol] ","DV [cm3/mol] ",null,null,"Organics","of Groups",null,"Internal energy","DUvap",{"$f":"IF(O128=0, \"      - \",O128)","v":55.22}," kJ/mol","at 25oC",null,null,"Ugroups1","Vgroups"]
[4.71,33.5,null,null,"-CH3",null,{"$f":"IF(F9>=0 & F9<=100,\"\",IF(F9 >= \" \",\"X\",IF(F9<0,\"X\",\"\")))","v":""},"Molar volume","V",{"$f":"IF(P128=0, \"      - \",P128)","v":115.8}," cm3/mol",null,null,null,{"$f":"F9*A9","v":0},{"$f":"F9*B9","v":0}]
[4.9400000000000004,16.100000000000001,null,null,"-CH2-",null,"","SolubilityParam."," d",{"$f":"IF(J9=\"      - \",\"      - \",IF(J9<0, \"      - \",(J8*1000/J9)^0.5))","v":21.837047634593592}," (J/cc)^0.5 = MPa^0.5",null,null,null,{"$f":"F10*A10","v":0},{"$f":"F10*B10","v":0}]
[3.43,-1,null,null,">CH-",null,"",null,null,{"$f":"IF(J9=\"      - \",\"      - \", IF(J9<0,\"      - \",(J8*1000*1.987/8.314/J9)^0.5))","v":10.67549066019002}," (cal/cc)^0.5",null,null,null,0,0]
[1.47,-19.2,null,null,">C<",null,"",null,null,null,null,null,null,null,0,0]
[4.3099999999999996,28.5,null,null,"CH2=",null,"",null,"X = Error; delete entry or Reset",null,null,null,null,null,0,0]
[4.3099999999999996,13.5,null,null,"-CH=",8,"",null,null,null,null,null,null,null,34.479999999999997,108]
[4.3099999999999996,-5.5,null,null,">C=",2,"",null,null,null,null,null,null,null,8.6199999999999992,-11]
[3.85,27.4,null,null,"CH=- (triple bond)",null,"",null,null,null,null,null,null,null,0,0]
[7.07,6.5,null,null,"-C=- (triple bond)",null,"",null,null,null,null,null,null,null,0,0]
[31.9,71.400000000000006,null,null,"Phenyl ",null,"",null,null,null,null,null,null,null,0,0]
[31.9,52.4,null,null,"Phenylene (o, m, p) ",null,"",null,null,null,null,null,null,null,0,0]
[31.9,33.4,null,null,"Phenyl (trisubstituted) ",null,"",null,null,null,null,null,null,null,0,0]
[31.9,14.4,null,null,"Phenyi (tetrasubstituted) ",null,"",null,null,null,null,null,null,null,0,0]
[31.9,-4.5999999999999996,null,null,"Phenyl (pentasubstituted) ",null,"",null,null,null,null,null,null,null,0,0]
[31.9,-23.6,null,null,"Phenyl (hexasubstituted) ",null,"",null,null,null,null,null,null,null,0,0]
[1.05,16,null,null,"Ring closure, 5 or more atoms ",2,"",null,null,null,null,null,null,null,2.1,32]
[3.14,18,null,null,"Ring closure. 3 or 4 atoms ",null,"",null,null,null,null,null,null,null,0,0]
[1.67,-2.2000000000000002,null,null,"Conjugation in ring, for each double bond ",6,"",null,null,null,null,null,null,null,10.02,-13.200000000000001]
[null,null,null,null,"Halogen Attachments:","Saturated \nCarbon(>C<)","Unsaturated \nCarbon (=C<)"]
[4.1900000000000004,18,null,null,"-F",null,null,{"$f":"IF(F28>=0 & F28<=100,\"\",IF(F28 >= \" \",\"X\",IF(F28<0,\"X\",\"\")))","v":""},{"$f":"IF(G28>=0 & G28<=100,\"\",IF(G28 >= \" \",\"X\",IF(G28<0,\"X\",\"\")))","v":""},null,null,null,null,null,{"$f":"F28*A28+G28*0.8*A28","v":0},{"$f":"F28*B28+F28*B28","v":0}]
[3.56,20,null,null,"-F (disubstituted)",null,null,{"$f":"IF(F29>=0 & F29<=100,\"\",IF(F29 >= \" \",\"X\",IF(F29<0,\"X\",\"\")))","v":""},"",null,null,null,null,null,{"$f":"F29*A29+G29*0.8*A29","v":0},{"$f":"F29*B29+F29*B29","v":0}]
[2.2999999999999998,22,null,null,"-F (trisubstituted)",null,null,"","",null,null,null,null,null,0,0]
[4.2699999999999996,23,null,null,"-CF2- (for perfluoro compounds) ",null,null,"","",null,null,null,null,null,0,0]
[4.2699999999999996,57.5,null,null,"-CF3,- (for perfluoro compounds) ",null,null,"","",null,null,null,null,null,0,0]
[11.55,24,null,null,"-Cl",null,null,"","",null,null,null,null,null,0,0]
[9.6300000000000008,26,null,null,"-Cl (disubstituted) ",null,null,"","",null,null,null,null,null,0,0]
[7.53,27.3,null,null,"-Cl (trisubstituted) ",null,null,"","",null,null,null,null,null,0,0]
[15.49,30,null,null,"-Br",null,null,"","",null,null,null,null,null,0,0]
[12.4,31,null,null,"-Br (disubstituted)",null,null,"","",null,null,null,null,null,0,0]
[10.7,32.4,null,null,"-Br (trisubstituted)",null,null,"","",null,null,null,null,null,0,0]
[19.05,31.5,null,null,"-I",null,null,"","",null,null,null,null,null,0,0]
[16.7,33.5,null,null,"-I (disubstituted) ",null,null,"","",null,null,null,null,null,0,0]
[16.3,37,null,null,"-I (trisubstituted) ",null,null,"","",null,null,null,null,null,0,0]
[null,null,null,null,"Nitrogen, Oxygen"]
[25.5,24,null,null,"-CN ",null,{"$f":"IF(F43>=0 & F43<=100,\"\",IF(F43 >= \" \",\"X\",IF(F43<0,\"X\",\"\")))","v":""},null,null,null,null,null,null,null,0,0]
[29.8,10,null,null,"-OH ",null,"",null,null,null,null,null,null,null,0,0]
[21.9,13,null,null,"-OH (disubstituted or on adjacent C atoms) ",null,"",null,null,null,null,null,null,null,0,0]
[3.35,3.8,null,null,"-O-",null,"",null,null,null,null,null,null,null,0,0]
[21.4,22.3,null,null,"-CHO (aldehyde) ",null,"",null,null,null,null,null,null,null,0,0]
[17.399999999999999,10.8,null,null,"-CO-",null,"",null,null,null,null,null,null,null,0,0]
[18,18,null,null,"-C02-",null,"",null,null,null,null,null,null,null,0,0]
[17.600000000000001,22,null,null,"-CO3- (carbonate) ",null,"",null,null,null,null,null,null,null,0,0]
[30.6,30,null,null,"-C2O3- (anhydride) ",null,"",null,null,null,null,null,null,null,0,0]
[18,32.5,null,null,"HCOO- (formate) ",null,"",null,null,null,null,null,null,null,0,0]
[26.8,37.299999999999997,null,null,"-CO2CO2- (oxalate) ",null,"",null,null,null,null,null,null,null,0,0]
[12.6,18,null,null,"-HCO3 ",null,"",null,null,null,null,null,null,null,0,0]
[13.4,29,null,null,"-COF ",null,"",null,null,null,null,null,null,null,0,0]
[17.600000000000001,38.1,null,null,"-COCl ",null,"",null,null,null,null,null,null,null,0,0]
[24.2,41.6,null,null,"-COBr ",null,"",null,null,null,null,null,null,null,0,0]
[29.3,48.7,null,null,"-COI ",null,"",null,null,null,null,null,null,null,0,0]
[12.6,19.2,null,null,"-NH2",null,"",null,null,null,null,null,null,null,0,0]
[8.4,4.5,null,null,"-NH-",null,"",null,null,null,null,null,null,null,0,0]
[4.2,-9,null,null,"-N<",null,"",null,null,null,null,null,null,null,0,0]
[11.7,5,null,null,"-N= ",null,"",null,null,null,null,null,null,null,0,0]
[22,null,null,null,"-NHNH2",null,"",null,null,null,null,null,null,null,0,0]
[16.7,16,null,null,"-NNH2",null,"",null,null,null,null,null,null,null,0,0]
[16.7,16,null,null,"-NHNH",null,"",null,null,null,null,null,null,null,{"$f":"F65*A65","v":0},{"$f":"F65*B65","v":0}]
[8.4,23,null,null,"-N2(diazo)",null,"",null,null,null,null,null,null,null,0,0]
[4.2,null,null,null,"-N=N-",null,"",null,null,null,null,null,null,null,0,0]
[20.100000000000001,0,null,null,">C=N-N=C<",null,"",null,null,null,null,null,null,null,0,0]
[11.47,null,null,null,"-N=C=N-",null,"",null,null,null,null,null,null,null,0,0]
[18.8,23.1,null,null,"-NC",null,"",null,null,null,null,null,null,null,0,0]
[7.66,33.1,null,null,"-NF2",null,"",null,null,null,null,null,null,null,0,0]
[5.07,24.5,null,null,"-NF-",null,"",null,null,null,null,null,null,null,0,0]
[41.9,17.5,null,null,"-CONH2 ",null,"",null,null,null,null,null,null,null,{"$f":"F73*A73","v":0},{"$f":"F73*B73","v":0}]
[33.5,9.5,null,null,"-CONH-",null,"",null,null,null,null,null,null,null,0,0]
[29.5,-7.7,null,null,"-CON < ",null,"",null,null,null,null,null,null,null,0,0]
[27.6,11.3,null,null,"HCON < ",null,"",null,null,null,null,null,null,null,0,0]
[44,27,null,null,"HCONH-",null,"",null,null,null,null,null,null,null,0,0]
[26.4,18.5,null,null,"-NHCOO-",null,"",null,null,null,null,null,null,null,0,0]
[50.2,null,null,null,"-NHCONH-",null,"",null,null,null,null,null,null,null,0,0]
[41.9,null,null,null,"-NHCON< ",null,"",null,null,null,null,null,null,null,0,0]
[20.9,-14.5,null,null,">NCON< ",null,"",null,null,null,null,null,null,null,0,0]
[37,null,null,null,"NH2COO-",null,"",null,null,null,null,null,null,null,0,0]
[28.5,35,null,null,"-NCO",null,"",null,null,null,null,null,null,null,0,0]
[19.100000000000001,20,null,null,"-ONH2 ",null,"",null,null,null,null,null,null,null,0,0]
[25.1,11.3,null,null,">C=NOH ",null,"",null,null,null,null,null,null,null,0,0]
[25.1,24,null,null,"-CH=NOH ",null,"",null,null,null,null,null,null,null,0,0]
[29.3,24,null,null,"-NO2 (aliphatic)",null,"",null,null,null,null,null,null,null,0,0]
[15.36,32,null,null,"-NO2 (aromatic)",null,"",null,null,null,null,null,null,null,0,0]
[20.9,33.5,null,null,"-NO3",null,"",null,null,null,null,null,null,null,0,0]
[11.7,33.5,null,null,"-NO2 (nitrite)",null,"",null,null,null,null,null,null,null,0,0]
[39.799999999999997,28.7,null,null,"-NHNO2",null,"",null,null,null,null,null,null,null,0,0]
[27.2,10,null,null,"-NNO",null,"",null,null,null,null,null,null,null,0,0]
[null,null,null,null,"Sulfur, Phosphorous, Silicon, Boron"]
[14.44,28,null,null,"-SH",null,"",null,null,null,null,null,null,null,0,0]
[14.15,12,null,null,"-S-",null,"",null,null,null,null,null,null,null,0,0]
[23.9,23,null,null,"-S2-",null,"",null,null,null,null,null,null,null,0,0]
[13.4,47.2,null,null,"-S3-",null,"",null,null,null,null,null,null,null,0,0]
[39.1,null,null,null,">SO ",null,"",null,null,null,null,null,null,null,0,0]
[18.8,27.6,null,null,"S03 ",null,"",null,null,null,null,null,null,null,0,0]
[28.5,31.6,null,null,"SO4 ",null,"",null,null,null,null,null,null,null,0,0]
[37.1,43.5,null,null,"-SO2Cl",null,"",null,null,null,null,null,null,null,0,0]
[20.100000000000001,37,null,null,"-SCN",null,"",null,null,null,null,null,null,null,0,0]
[25.1,40,null,null,"-NCS",null,"",null,null,null,null,null,null,null,0,0]
[9.42,-1,null,null,"P ",null,"",null,null,null,null,null,null,null,0,0]
[14.2,22.7,null,null,"PO3 ",null,"",null,null,null,null,null,null,null,0,0]
[20.9,28,null,null,"PO4 ",null,"",null,null,null,null,null,null,null,0,0]
[31.8,32.200000000000003,null,null,"PO3(OH) ",null,{"$f":"IF(F107>=0 & F107<=100,\"\",IF(F107 >= \" \",\"X\",IF(F107<0,\"X\",\"\")))","v":""},null,null,null,null,null,null,null,0,0]
[3.4,0,null,null,"Si ",null,"",null,null,null,null,null,null,null,0,0]
[21.8,20,null,null,"Si04 ",null,"",null,null,null,null,null,null,null,0,0]
[13.8,-2,null,null,"B ",null,"",null,null,null,null,null,null,null,0,0]
[0,20.399999999999999,null,null,"B03 ",null,"",null,null,null,null,null,null,null,0,0]
[null,null,null,null,"Metals"]
[13.8,-2,null,null,"Al ",null,"",null,null,null,null,null,null,null,0,0]
[13.8,-2,null,null,"Ga ",null,"",null,null,null,null,null,null,null,0,0]
[13.8,-2,null,null,"In ",null,"",null,null,null,null,null,null,null,0,0]
[13.8,-2,null,null,"Tl ",null,"",null,null,null,null,null,null,null,0,0]
[8.1,-1.5,null,null,"Ge ",null,"",null,null,null,null,null,null,null,0,0]
[11.3,1.5,null,null,"Sn ",null,"",null,null,null,null,null,null,null,0,0]
[17.2,2.5,null,null,"Pb ",null,"",null,null,null,null,null,null,null,0,0]
[13,7,null,null,"As ",null,"",null,null,null,null,null,null,null,0,0]
[16.3,8.9,null,null,"Sb ",null,"",null,null,null,null,null,null,null,0,0]
[21.4,9.5,null,null,"Bi ",null,"",null,null,null,null,null,null,null,0,0]
[17.2,16,null,null,"Se ",null,"",null,null,null,null,null,null,null,0,0]
[20.100000000000001,17.399999999999999,null,null,"Te ",null,"",null,null,null,null,null,null,null,0,0]
[14.5,2.5,null,null,"Zn ",null,"",null,null,null,null,null,null,null,0,0]
[17.8,6.5,null,null,"Cd ",null,"",null,null,null,null,null,null,null,0,0]
[22.8,7.5,null,null,"Hg ",null,"",null,null,null,null,null,null,null,0,0]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Sum:",{"$f":"SUM(O9:O26,O28:O41,O43:O92,O94:O111,O113:O127)","v":55.22},{"$f":"SUM(P9:P26,P28:P41,P43:P92,P94:P111,P113:P127)","v":115.8}]

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