Solvent Blend Formulation (Appendix 1)

APPENDIX A TRAINING SET SHOWING THE DIFFERENCE BETWEEN MCALC AND MAVG Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg 1 1 8.9 7.9 1,5-pentanediol 3 3 4.6 1.6 glycerol 1 1 0.8 -0.2 2-butene-1,4-diol 3 3 2.8 -0.2 1,2,6-hexanetriol 2 2 -0.8 -2.8 formamide 3 3 2.6 -0.4 2-aminoethoxyethanol 2 2 7.3 5.3 glycerol carbonate 3 3 0.9 -2.1 ethanolamine 2 2 4.0 2.0 1,2-propanediol, 3chloro- 4 4 5.1 1.1 ethylene glycol 2 2 2.3 0.3 1,3-butanediol 4 4 7.3 3.3 triethanolamine 2 2 7.2 5.2 methanesulfonic acid 4 4 -2.6 -6.6 1,3-propanediol (trimethyleneglycol) 3 3 3.1 0.1 propylene glycol 4 4 5.8 1.8 1,4-butanediol 3 3 5.8 2.8 thiodiethylenglycol 4 4 7.3 3.3 Solvents M diethanolamine M' M' Mavg Mcalc McalcMavg Solvents M 5 5 5.7 0.7 acetol diethylene glycol 5 5 6.6 1.6 ethanesulfonic acid 5 5 1.4 Solvents M 2,5-hexanediol M' Mavg Mcalc McalcMavg 8 8 4.7 -3.3 methoxyacetic acid 8 8 11.6 3.6 -3.6 propylene carbonate 9 17 13 13.2 0.2 sulfolane (tetramethylene sulfone) 9 17 13 10.9 -2.1 diethylenetriamine 9 9 12.6 3.6 M' formic acid 5 5 13.0 8.0 1,2-butanediol 6 6 8.3 2.3 1-amino-2-propanol 6 6 6.7 0.7 dimethyl sulfoxide (DMSO) 9 9 10.7 1.7 ethylene carbonate 6 11.5 12.5 1.0 ethylenediamine 9 9 9.9 0.9 bis(cyanoethyl) ether 6 6 13.7 7.7 pentaethylene hexamine 9 9 15.4 6.4 triethylene glycol 6 6 6.6 0.6 propanamide 9 9 11.1 2.1 tetraethylene glycol 7 7 12.6 5.6 tetraethylenepentamine 9 9 14.5 5.5 adiponitrile 8 19 13.5 14.3 0.8 methyl cyanoacetate 8 17 12.5 11.9 -0.6 triethylene tetramine 9 9 13.4 4.4 17 Solvents M M' Mavg Mcalc McalcMavg Solvents M methyl sulfolane 10 17 13.5 12.4 -1.1 furfuryl alcohol 2-pyrrolidone 10 10 13.5 3.5 nitromethane 10 N-formylmorpholine acetol acetate 19 14.5 14.6 0.1 10 10 10.0 0.0 10 10 15.3 5.3 Mavg Mcalc McalcMavg 11 11 11.4 0.4 methylethanolamine 11 11 12.7 1.7 N-acetylmorpholine 11 11 15.2 4.2 1,3-dichloro-2-propanol 12 12 10.5 -1.5 2,3-butanediol 12 17 14.5 5.2 -9.3 M' trimethylphosphate 10 10 14.2 4.2 2,5-hexanedione 12 17 14.5 19.0 4.5 4-butyrolactone (GBL) 10 10 12.7 2.7 acetic anhydride 12 19 15.5 13.6 -1.9 pentane-2,4-dione 12 18 15 17.3 2.3 1,1,2,2-tetrabromoethane 11 19 15 15.1 0.1 diethyl sulfate 12 21 16.5 16.6 0.1 3-methoxypropionitrile 11 17 14 13.8 -0.2 dimethyl maleate 12 19 15.5 15.5 0.0 furfural 11 17 14 14.7 0.7 dimethyl phthalate 12 19 15.5 16.4 0.9 glycerol triacetate 11 19 15 18.9 3.9 dipropyl sulfone 12 17 14.5 15.2 0.7 19 15.5 17.7 2.2 12 9.8 -2.2 dipropylene glycol 11 11 8.2 -2.8 ethylene glycol diacetate 12 2-chloroethanol 11 11 9.6 -1.4 2-hydroxyethyl methacrylate 12 Solvents M M' Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg phenyl acetonitrile 12 19 15.5 16.1 0.6 2-allyloxyethanol 13 13 12.2 -0.8 aniline 12 12 13.9 1.9 methyl chloroacetate 13 19 16 16.7 0.7 diethylene glycol monomethyl ether 12 12 13.8 1.8 nitroethane 13 20 16.5 16.4 -0.1 propionitrile 13 17 15 16.6 1.6 dimethyl formamide (DMF) 12 12 11.4 -0.6 propylene glycol monophenyl ether 13 17 15 15.6 0.6 ethylene glycol mono benzyl ether 12 12 14.5 2.5 benzyl alcohol 13 13 12.7 -0.3 methanol 12 12 6.0 -6.0 dichloroacetic acid 13 13 12.9 -0.1 N-aminoethyl piperazine 12 12 14.9 2.9 ethylene glycol monomethyl ether 13 13 11.9 -1.1 tripropylene glycol 12 12 12.1 0.1 ethylthioethanol 13 13 12.7 -0.3 1,2-epoxy-3phenoxypropane 13 19 16 17.9 1.9 N,N-dimethyl acetamide 13 13 13.9 0.9 diethyl phthalate 13 20 16.5 18.1 1.6 13 13 14.5 1.5 ethyl acetoacetate (keto) 13 19 16 17.1 1.1 N-methyl-2-pyrrolidone (NMP) tetrahydrofurfuryl alcohol 13 13 12.5 -0.5 M' Mavg Mcalc McalcMavg Solvents M 13 14.1 1.1 allyl alcohol 18 16 15.2 -0.8 14 18 16 16.0 0.0 butyronitrile 14 19 16.5 17.5 1.0 diethyl oxalate 14 20 17 16.5 -0.5 dimethyl carbonate 14 19 16.5 15.8 -0.7 epichlorohydrin 14 19 16.5 16.9 0.4 Solvents M triethylene glycol monomethyl ether 13 acetonitrile 14 acrylonitrile M' ethylene glycol monomethyl ether acetate 14 17 15.5 16.0 0.5 methyl formate 14 19 16.5 15.8 -0.7 nitrobenzene 14 20 17 17.4 0.4 3-methoxy butanol 14 14 14.8 0.8 4-methyl cyclohexanol (mix) 14 14 14.2 0.2 acetic acid 14 14 13.9 -0.1 Mavg Mcalc McalcMavg 14 14 9.3 -4.7 diacetone alcohol 14 14 15.1 1.1 dimethyl ethanolamine 14 14 12.0 -2.0 ethanol 14 14 8.6 -5.4 ethyl lactate 14 14 14.0 0.0 ethylene glycol monoethyl ether 14 14 13.1 -0.9 hexylene glycol 14 14 6.5 -7.5 morpholine 14 14 15.5 1.5 N,N-diethyl acetamide 14 14 15.4 1.4 propylene chlorohydrin 14 14 10.5 -3.5 triethylphosphate 14 14 13.8 -0.2 M' Mavg Mcalc McalcMavg Solvents M 15 12.5 -2.5 2-propanol 15 20 17.5 17.9 0.4 paraldehyde 15 15 17 16 17.1 1.1 3-methyl allyl alcohol 15 acetophenone 15 18 16.5 18.2 1.7 benzaldehyde 15 19 17 17.8 0.8 styrene oxide (phenyl oxirane) 15 benzonitrile 15 19 17 17.1 0.1 benzyl benzoate 15 21 18 19.7 1.7 diethylene glycol diethyl ether di-(2-methoxyethyl) ether 15 17 16 19.7 3.7 1-propanol 15 15 10.7 ethyl formate 15 17 16.9 Solvents M 1-butanol 15 2-nitropropane 15 acetone M' 19 Mavg Mcalc McalcMavg 15 11.9 -3.1 17 20.5 3.5 15 12.5 -2.5 17 17.8 0.8 15 15 20.7 5.7 diethylene glycol monobutyl ether 15 15 16.1 1.1 -4.3 dipropylene glycol methyl ether 15 15 16.6 1.6 -0.1 hexamethyl phosphoramide 15 15 13.1 -1.9 isobutyl alcohol 15 15 12.9 -2.1 propionic acid 15 15 15.8 0.8 propylene glycol monoethyl ether 15 15 16.3 1.3 ethylene glycol monoethyl ether acetate 15 ethylene glycol monoisobutyl ether 15 methacrylonitrile 15 19 17 18.4 1.4 methyl acetate 15 17 16 18.1 2.1 19 17 17 16 17.3 18.3 M' 19 19 0.3 2.3 Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg 15 15 14.5 -0.5 N,N'-dimethylpiperazine 16 16 20.8 4.8 2,5-dimethylpyrazine 16 16 15.6 -0.4 pyridine 16 16 16.9 0.9 2-butanol 16 16 13.6 -2.4 t-butyl alcohol 16 16 14.0 -2.0 2-chlorophenol 16 16 12.6 -3.4 trimethyl borate 16 16 17.6 1.6 2-methyl-2-butanol 16 16 14.6 -1.4 1,4-dioxane 17 17 18.7 1.7 2-methylpyridine 16 16 17.8 1.8 1-heptanol 17 17 16.2 -0.8 4-ethyl morpholine 16 16 19.1 3.1 1-hexanol 17 17 15.2 -1.8 butyric acid 16 16 15.9 -0.1 1-nonanol 17 17 17.4 0.4 cyclohexanecarboxylic acid 16 16 19.3 3.3 1-octanol 17 17 16.9 -0.1 cyclohexanol 16 16 14.5 -1.5 1-pentanol 17 17 14.0 -3.0 ethylene glycol monobutyl ether 16 16 15.7 -0.3 2,5-dihydrofuran 17 17 18.9 1.9 Solvents M tetramethylurea M' M' Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg 17 17 15.3 -1.7 1-decanol 18 18 18.0 0.0 2-ethyl-hexanol 17 17 17.6 0.6 diethyl ketone 18 18 19.9 1.9 2-octanol 17 17 17.1 0.1 dodecanol 18 18 19.8 1.8 cyclohexanone 17 17 18.2 1.2 isophorone 18 18 19.0 1.0 dimethyl cellosolve 17 17 20.0 3.0 mesityl oxide 18 18 19.6 1.6 hexanoic acid 17 17 16.7 -0.3 tri-n-butyl phosphate 18 18 22.1 4.1 methyl ethyl ketone (MEK) 17 17 18.8 1.8 1,1,2,2-tetrachloroethane 19 19 19.3 0.3 methyl isobutyl carbinol 17 17 17.1 0.1 1,1,2-trichloroethane 19 19 18.3 -0.7 nonyl phenol 17 17 19.7 2.7 1,2-dibromoethylene 19 19 21.8 2.8 propylene oxide 17 17 18.3 1.3 1-propen-2-ol, acetate 19 19 19.9 0.9 tetrahydrofuran (THF) 17 17 17.9 0.9 butyl formate 19 19 17.2 -1.8 Solvents M 2-ethyl-1-butanol M' M' Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg 19 19 20.3 1.3 1,2-dichloropropane 20 20 20.7 0.7 diethyl adipate 19 19 19.0 0.0 1,3-dichloro propane 20 20 19.8 -0.2 ethyl acetate 19 19 19.2 0.2 1,4-dichlorobutane 20 20 20.0 0.0 isopropyl acetate 19 19 19.5 0.5 anisole 20 20 19.1 -0.9 methyl isoamyl ketone 19 19 21.5 2.5 di-(2-chloroethyl) ether 20 20 16.9 -3.1 methyl isobutyl ketone (MIBK) 19 19 21.5 2.5 ethylene dichloride 20 20 19.4 -0.6 methylal (dimethoxy methane) 19 19 20.3 1.3 fluorobenzene 20 20 21.5 1.5 n-propyl acetate 19 19 19.9 0.9 furan 20 20 21.5 1.5 1,1-dichloroethane 20 20 20.7 0.7 methyl methacrylate 20 20 20.0 0.0 1,2,3-trichloropropane 20 20 17.3 -2.7 methylene dichloride (dichloromethane) 20 20 17.7 -2.3 1,2-dichloroethylene (cis) 20 20 20.2 0.2 o-chlorotoluene 20 20 21.7 1.7 Solvents M chloroform M' M' Mavg Mcalc McalcMavg Solvents M Mavg Mcalc McalcMavg 20 20 21.0 1.0 dichloroethylene (trans) 21 21 20.4 -0.6 thiophene 20 20 18.5 -1.5 diethyl carbonate 21 21 21.9 0.9 trichloroethylene 20 20 20.6 0.6 diphenylmethane 21 21 25.6 4.6 vinyl acetate 20 20 19.1 -0.9 ethyl benzoate 21 21 18.9 -2.1 1,2-dibromopropane 21 21 18.4 -2.6 ethyl bromide 21 21 21.0 0.0 1,4-dibromobutane 21 21 20.7 -0.3 ethyl propionate 21 21 20.8 -0.2 1-fluoronaphthalene 21 21 21.8 0.8 ethyl trichloroacetate 21 21 19.4 -1.6 benzene 21 21 24.4 3.4 isobutyl acetate 21 21 21.5 0.5 bromobenzene 21 21 19.8 -1.2 methyl iodide 21 21 18.6 -2.4 butyric anhydride 21 21 18.4 -2.6 o-dichlorobenzene 21 21 20.0 -1.0 chlorobenzene 21 21 22.1 1.1 tetramethylene sulfide 21 21 18.0 -3.0 Solvents M phenetole (ethyl phenyl ether) M' M'