Table 4. Percent Accuracy of Surrogate Predictions for Water Mixtures
Table 4. Percent Accuracy of Surrogate Predictions for Water Mixtures | ||||||||||||
watera | water/glycerinb | water/saltc | water/soapd | |||||||||
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dichlorodifluoromethane | 131 | 16 | 2 | 119 | 12 | 1 | 118 | 8 | 2 | 178 | 23 | 2 |
chloromethane | 123 | 9 | 2 | 116 | 11 | 1 | 120 | 15 | 2 | 130 | 5 | 1 |
viny chloride | 128 | 9 | 1 | 123 | 5 | 1 | 136 | 8 | 2 | 124 | 6 | 1 |
bromomethane | 99 | 5 | 1 | 97 | 2 | 0 | 86 | 35 | 1 | 98 | 4 | 1 |
chloroethane | 105 | 6 | 1 | 104 | 2 | 1 | 89 | 41 | 1 | 105 | 5 | 1 |
trichlorofluoromethane | 82 | 35 | 1 | 102 | 1 | 1 | 83 | 40 | 1 | 104 | 3 | 1 |
diethyl ether | 96 | 14 | 2 | 99 | 9 | 1 | 700 | 400 | 22 | 600 | 500 | 30 |
acrolein | 93 | 12 | 3 | 94 | 6 | 1 | 500 | 300 | 49 | 203 | 23 | 9 |
acetone | 108 | 8 | 6 | 35 | 5 | 2 | 113 | 8 | 26 | 141 | 19 | 6 |
1,1-dichloroethene | 98 | 10 | 1 | 102 | 6 | 1 | 500 | 300 | 8 | 107 | 10 | 1 |
iodomethane | 97 | 7 | 1 | 96 | 6 | 0 | 102 | 4 | 1 | 97 | 2 | 0 |
allyl chloride | 98 | 10 | 1 | 99 | 6 | 1 | 105 | 4 | 1 | 99 | 3 | 1 |
acetonitrile | 105 | 4 | 7 | 99 | 6 | 7 | 130 | 84 | 29 | 101 | 8 | 4 |
methylene chloride-d2 | 97 | 7 | 1 | 96 | 8 | 0 | 101 | 7 | 1 | 98 | 6 | 2 |
methylene chloride | 101 | 9 | 1 | 99 | 10 | 0 | 105 | 11 | 1 | 102 | 8 | 2 |
acrylonitrile | 103 | 1 | 7 | 105 | 3 | 8 | 89 | 17 | 21 | 108 | 3 | 5 |
trans-1,2-dichloroethene | 100 | 4 | 1 | 100 | 5 | 0 | 106 | 9 | 1 | 107 | 7 | 1 |
1,1-dichloroethane | 98 | 5 | 1 | 98 | 5 | 0 | 99 | 4 | 0 | 99 | 1 | 1 |
methacrylonitrile | 99 | 3 | 2 | 99 | 1 | 1 | 93 | 6 | 6 | 96 | 2 | 4 |
2-butanone | 148 | 94 | 15 | 94 | 27 | 9 | 95 | 24 | 23 | 103 | 2 | 4 |
propionitrile | 101 | 6 | 6 | 92 | 8 | 12 | 90 | 25 | 18 | 97 | 3 | 4 |
2,2-dichloropropane | 100 | 1 | 1 | 101 | 1 | 1 | 100 | 1 | 1 | 98 | 1 | 1 |
cis-1,2-dichloroethene | 100 | 1 | 1 | 100 | 1 | 0 | 103 | 2 | 0 | 97 | 0 | 1 |
chloroform | 100 | 1 | 1 | 100 | 2 | 1 | 100 | 2 | 0 | 97 | 1 | 2 |
isobutanol | 146 | 24 | 10 | 135 | 12 | 10 | 79 | 11 | 19 | 132 | 17 | 5 |
bromochloromethane | 98 | 1 | 1 | 98 | 1 | 0 | 100 | 0 | 1 | 98 | 1 | 1 |
1,1,1-trichloroethane | 100 | 1 | 1 | 101 | 1 | 1 | 102 | 3 | 1 | 101 | 1 | 1 |
1,1-dichloropropene | 105 | 3 | 1 | 104 | 3 | 1 | 106 | 3 | 1 | 101 | 3 | 1 |
carbon tetrachloride | 100 | 0 | 1 | 100 | 2 | 1 | 100 | 2 | 1 | 113 | 2 | 1 |
benzene-d6 | 101 | 1 | 1 | 101 | 1 | 1 | 101 | 1 | 0 | 100 | 1 | 1 |
1,2-dichloroethane | 99 | 1 | 1 | 99 | 1 | 1 | 101 | 1 | 1 | 100 | 1 | 2 |
benzene | 101 | 0 | 1 | 100 | 1 | 1 | 101 | 2 | 0 | 101 | 1 | 1 |
trichloroethene | 100 | 1 | 1 | 101 | 1 | 0 | 102 | 1 | 1 | 92 | 1 | 0 |
1,2-dichloropropane-d6 | 101 | 2 | 1 | 101 | 2 | 0 | 101 | 2 | 1 | 99 | 2 | 2 |
1,2-dichloropropane | 100 | 1 | 1 | 100 | 1 | 0 | 101 | 1 | 1 | 99 | 1 | 2 |
methyl methacrylate | 98 | 4 | 2 | 98 | 2 | 1 | 91 | 2 | 4 | 94 | 2 | 4 |
bromodichloromethane | 98 | 1 | 1 | 100 | 1 | 0 | 98 | 2 | 1 | 99 | 1 | 2 |
1,4-dioxane | 99 | 8 | 8 | 64 | 6 | 34 | 104 | 11 | 17 | 98 | 3 | 13 |
dibromomethane | 98 | 1 | 2 | 99 | 1 | 1 | 101 | 1 | 3 | 100 | 1 | 5 |
4-methyl-2-pentanone | 98 | 5 | 3 | 98 | 3 | 1 | 86 | 1 | 7 | 91 | 2 | 4 |
trans-1,3-dichloropropene | 101 | 1 | 1 | 100 | 0 | 1 | 101 | 2 | 1 | 97 | 1 | 1 |
toluene | 102 | 2 | 1 | 101 | 1 | 1 | 103 | 3 | 1 | 103 | 1 | 1 |
pyridine | 105 | 18 | 18 | NAh | 96 | 22 | 34 | 78 | 4 | 22 | ||
cis-1,3-dichloropropene | 101 | 1 | 1 | 101 | 1 | 1 | 103 | 2 | 1 | 100 | 1 | 2 |
ethyl methacrylate | 100 | 2 | 2 | 99 | 1 | 1 | 93 | 4 | 3 | 95 | 2 | 4 |
N-nitrosodimethylamine | 140 | 17 | 4 | 106 | 9 | 1 | 102 | 35 | 10 | 145 | 19 | 8 |
1,1,2-trichloroethane-d3 | 100 | 1 | 2 | 100 | 2 | 1 | 99 | 2 | 3 | 101 | 1 | 5 |
2-hexanone | 102 | 7 | 3 | 101 | 4 | 1 | 85 | 3 | 8 | 89 | 2 | 4 |
1,1,2-trichloroethane | 100 | 2 | 2 | 100 | 1 | 1 | 99 | 1 | 2 | 99 | 1 | 5 |
tetrachloroethene | 102 | 11 | 1 | 102 | 15 | 1 | 94 | 30 | 1 | 50 | 9 | 0 |
1,3-dichloropropane | 102 | 1 | 2 | 101 | 1 | 1 | 102 | 2 | 3 | 102 | 1 | 5 |
dibromochloromethane | 98 | 1 | 1 | 99 | 2 | 1 | 96 | 1 | 1 | 98 | 1 | 2 |
2-picoline | NA | NA | 59 | 24 | 9 | 46 | 6 | 7 | ||||
1,2-dibromoethane | 100 | 1 | 2 | 100 | 1 | 1 | 99 | 1 | 2 | 96 | 1 | 5 |
chlorobenzene | 100 | 1 | 1 | 100 | 1 | 1 | 101 | 1 | 1 | 98 | 0 | 2 |
1,1,1,2-tetrachloroethane | 99 | 1 | 1 | 100 | 1 | 0 | 98 | 1 | 1 | 100 | 1 | 2 |
ethylbenzene | 103 | 2 | 1 | 101 | 2 | 1 | 102 | 1 | 0 | 103 | 2 | 1 |
N-nitrosomethylethylamine | 142 | 19 | 9 | 90 | 8 | 16 | 77 | 21 | 15 | 126 | 2 | 7 |
m,p-xylenes | 102 | 2 | 1 | 101 | 1 | 1 | 103 | 1 | 0 | 99 | 1 | 1 |
styrene | 102 | 0 | 1 | 101 | 1 | 1 | 103 | 3 | 1 | 98 | 0 | 3 |
o-xylene | 102 | 1 | 1 | 101 | 1 | 1 | 102 | 1 | 1 | 94 | 1 | 2 |
isopropylbenzene | 103 | 2 | 1 | 101 | 2 | 1 | 105 | 3 | 1 | 119 | 3 | 3 |
bromoform | 97 | 2 | 2 | 99 | 2 | 1 | 92 | 1 | 2 | 93 | 2 | 5 |
cis-1,4-dichloro-2-butene | 98 | 4 | 2 | 98 | 2 | 1 | 91 | 2 | 2 | 88 | 3 | 5 |
N-nitrosodiethylamine | 128 | 14 | 10 | 75 | 6 | 34 | 78 | 19 | 11 | 128 | 4 | 14 |
1,1,2,2-tetrachloroethane | 99 | 2 | 2 | 100 | 3 | 1 | 90 | 2 | 2 | 122 | 5 | 6 |
4-bromo-1-fluorobenzene | 99 | 1 | 1 | 99 | 1 | 1 | 99 | 1 | 1 | 98 | 1 | 3 |
1,2,3-trichloropropane | 103 | 6 | 2 | 101 | 3 | 1 | 95 | 5 | 2 | 89 | 2 | 5 |
n-propylbenzene | 103 | 2 | 1 | 102 | 2 | 1 | 106 | 3 | 1 | 124 | 4 | 3 |
trans-1,4-dichloro-2-butene | 99 | 4 | 2 | 98 | 2 | 1 | 90 | 2 | 2 | 87 | 3 | 5 |
1,3,5-trimethylbenzene | 102 | 3 | 1 | 101 | 2 | 1 | 104 | 3 | 1 | 121 | 2 | 2 |
bromobenzene | 99 | 0 | 1 | 99 | 0 | 1 | 100 | 1 | 1 | 96 | 1 | 3 |
2- chlorotoluene | 104 | 4 | 1 | 101 | 3 | 1 | 105 | 3 | 1 | 113 | 2 | 2 |
4-chlorotoluene | 99 | 2 | 1 | 100 | 2 | 1 | 102 | 1 | 1 | 106 | 2 | 2 |
pentachloroethane | 97 | 9 | 1 | 100 | 9 | 1 | 106 | 20 | 1 | 350 | 100 | 8 |
tert-butylbenzene | 101 | 3 | 1 | 100 | 3 | 1 | 105 | 5 | 1 | 152 | 5 | 3 |
1,2,4-trimethylbenzene | 102 | 2 | 1 | 101 | 2 | 1 | 104 | 2 | 1 | 114 | 2 | 3 |
sec-butylbenzene | 102 | 3 | 1 | 101 | 2 | 1 | 107 | 3 | 2 | 135 | 3 | 4 |
aniline | 84 | 28 | 13 | 136 | 28 | 121 | 126 | 58 | 47 | 103 | 10 | 31 |
p-isopropyltoluene | 103 | 0 | 2 | 102 | 4 | 2 | 107 | 3 | 2 | 124 | 3 | 6 |
1,3-dichlorobenzene | 99 | 1 | 1 | 100 | 1 | 1 | 101 | 1 | 1 | 102 | 1 | 3 |
1,4-dichlorobenzene | 99 | 1 | 1 | 99 | 1 | 1 | 100 | 2 | 1 | 95 | 1 | 3 |
n-butylbenzene | 103 | 2 | 2 | 102 | 3 | 2 | 110 | 3 | 2 | 135 | 4 | 6 |
1,2-dichlorobenzene | 100 | 1 | 1 | 100 | 1 | 1 | 100 | 1 | 2 | 98 | 1 | 5 |
benzyl alcohol | 78 | 17 | 9 | 60 | 5 | 45 | 155 | 85 | 35 | 107 | 6 | 26 |
N-nitroso-di-n-propylamine | 148 | 31 | 11 | 93 | 8 | 22 | 64 | 6 | 12 | 89 | 4 | 12 |
acetophenone-d5 | 140 | 40 | 13 | 124 | 11 | 11 | 101 | 67 | 23 | 64 | 3 | 7 |
o-toluidine | 79 | 26 | 13 | 151 | 46 | 138 | 103 | 52 | 43 | 87 | 11 | 28 |
1,2-dibromo-3-chloropropane | 99 | 9 | 3 | 101 | 5 | 3 | 90 | 20 | 3 | 64 | 3 | 6 |
hexachlorobutadiene | 99 | 2 | 2 | 98 | 4 | 3 | 109 | 4 | 4 | 136 | 3 | 7 |
1,2,4-trichlorobenzene | 99 | 1 | 2 | 100 | 1 | 3 | 98 | 1 | 3 | 96 | 1 | 5 |
naphthalene-d8 | 98 | 5 | 2 | 100 | 2 | 4 | 89 | 4 | 4 | 79 | 2 | 6 |
naphthalene | 99 | 4 | 2 | 99 | 2 | 4 | 91 | 2 | 4 | 80 | 2 | 6 |
1,2,3-trichlorobenzene | 100 | 2 | 2 | 100 | 1 | 4 | 100 | 3 | 5 | 108 | 4 | 9 |
N-nitrosodibutylamine | 48 | 25 | 10 | 25 | 2 | 24 | 111 | 85 | 83 | 102 | 22 | 45 |
2-methylnaphthalene | 119 | 9 | 12 | 110 | 12 | 15 | 102 | 28 | 25 | 183 | 11 | 38 |
a 5-mL water samples.
b 1-g glycerin added to 5 mL water.
c 1-g salt added to 5 mL water.
d 0.2 g concentrated soap added to 5 mL water.
e Average of 4 replicate analyses.
f Standard deviation (1 sigma) of replicate analyses.
g Average variation between predictions of the surrogate pairs for the
replicate analyses.
h NA = compound not significantly present in vacuum distillate.