Breakthrough Data
for 121 Compounds - Calculated vs. Experimental The following table provides a listing of breakthrough times as calculated using the Yoon-Nelson equations versus experimental data. (Note: the Yoon-Nelson equation is a descriptive equation that uses the experimental data to derive parameters used in the calculation.) The following standard conditions were used:
|
Compound Name | Calculated | Experimental |
1% | 10% | 1% | 10% | |
Aromatics | ||||
Benzene | 71.2 | 90.2 | 73.3 | 88.6 |
Toluene | 93.2 | 116 | 94.3 | 114 |
Ethyl benzene | 81.4 | 106 | 83.7 | 105 |
m-Xylene | 97.9 | 117 | 98.7 | 116 |
Cumene | 81.3 | 103 | 81.2 | 103 |
Mesitylene | 84.9 | 106 | 85.5 | 105 |
p-Cymene | 73.7 | 94.2 | 75.6 | 92.9 |
Alcohols | ||||
Methanol | -1.90 | 4.50 | 0.211 | 3.37 |
Ethanol | 20.0 | 50.1 | 28.0 | 45.3 |
Isopropanol | 48.4 | 86.2 | 54.3 | 81.8 |
Allyl alcohol | 62.5 | 107 | 65.5 | 105 |
Propanol | 84.4 | 124 | 85.5 | 123 |
sec-Butanol | 94.3 | 123 | 96.0 | 121 |
Butanol | 113 | 143 | 115 | 141 |
2-Pentanol | 84.2 | 113 | 86.8 | 111 |
3-Methyl-1-butanol | 96.1 | 123 | 97.0 | 121 |
4-Methyl-2-pentanol | 70.8 | 98.5 | 75.4 | 96.1 |
Pentanol | 103 | 129 | 103 | 130 |
2-Ethyl-1-butanol | 72.1 | 103 | 76.5 | 101 |
Monochlorides | ||||
Methyl chloride | -0.927 | 1.18 | 0.051 | 0.689 |
Vinyl chloride | 2.48 | 7.58 | 3.75 | 6.64 |
Ethyl chloride | 4.89 | 11.1 | 5.62 | 10.7 |
2-Chloropropane | 24.0 | 37.1 | 26.1 | 35.9 |
Allyl chloride | 29.5 | 45.5 | 30.5 | 44.6 |
1-Chloropropane | 22.5 | 39.6 | 24.5 | 38.4 |
2-Chloro-2-methylpropane | 35.8 | 53.3 | 37.4 | 52.3 |
1-Chlorobutane | 71.3 | 88.8 | 72.0 | 88.1 |
2-Chloro-2-methylbutane | 58.5 | 79.8 | 58.8 | 79.3 |
1-Chloropentane | 74.7 | 96.8 | 74.7 | 96.6 |
Chlorocyclopentane | 78.0 | 105 | 77.5 | 106 |
Chlorobenzene | 106 | 132 | 107 | 131 |
1-Chlorohexane | 75.3 | 97.8 | 77.3 | 95.8 |
o-Chlorotoluene | 99.4 | 123 | 102 | 122 |
1-Chloroheptane | 82.0 | 101 | 81.5 | 101 |
3-(Chloromethyl) heptane | 62.0 | 80.5 | 63.4 | 80.5 |
Dichlorides | ||||
Dichloromethane | 7.78 | 17.1 | 10.1 | 15.8 |
trans-1,2-Dichloroethylene | 33.0 | 50.7 | 33.0 | 50.3 |
1,1-Dichloroethane | 17.9 | 42.9 | 23.3 | 40.1 |
cis-1,2-Dichloroethylene | 24.6 | 45.5 | 29.8 | 42.6 |
1,2-Dichloroethane | 50.9 | 82.1 | 54.0 | 79.7 |
1,2-Dichloropropane | 62.4 | 92.0 | 65.0 | 90.3 |
cis-trans-1,2-Dichloropropene | 85.0 | 111 | 85.5 | 110 |
1,4-Dichlorobutane | 106 | 130 | 108 | 129 |
o-Dichlorobenzene | 106 | 134 | 109 | 132 |
Trichlorides | ||||
Chloroform | 29.6 | 54.8 | 33.2 | 52.4 |
Methyl chloroform | 34.1 | 62.6 | 40.4 | 58.9 |
Trichloroethylene | 52.2 | 85.2 | 55.3 | 83.0 |
1,1,2-Trichloroethane | 71.4 | 112 | 71.8 | 112 |
1,2,3-Trichloropropane | 108 | 133 | 111 | 132 |
Tetrachlorides | ||||
Carbon tetrachloride | 74.0 | 91.9 | 77.0 | 90.0 |
Perchloroethylene | 105 | 130 | 107 | 129 |
1,1,2,2-Tetrachloroethane | 102 | 132 | 104 | 131 |
Pentachlorides | ||||
Pentachloroethane | 92.2 | 118 | 93.2 | 117 |
Acetates | ||||
Methyl acetate | 30.1 | 48.3 | 32.8 | 46.5 |
Vinyl acetate | 55.6 | 80.4 | 55.0 | 81.1 |
Ethyl acetate | 64.9 | 86.3 | 66.8 | 84.7 |
Isopropyl acetate | 63.1 | 86.8 | 64.5 | 85.6 |
Isopropenyl acetate | 80.3 | 106 | 80.6 | 106 |
Propyl acetate | 75.6 | 101 | 78.8 | 99.0 |
Allyl acetate | 73.4 | 96.7 | 75.8 | 95.6 |
sec-Butyl acetate | 81.4 | 102 | 82.8 | 101 |
Butyl acetate | 76.0 | 97.6 | 77.3 | 96.9 |
Isopentyl acetate | 69.1 | 89.6 | 70.9 | 88.3 |
1,3-Dimethylbutyl acetate | 60.6 | 76.0 | 60.6 | 76.0 |
Pentyl acetate | 69.4 | 89.4 | 72.6 | 87.3 |
Hexyl acetate | 65.6 | 86.5 | 67.0 | 85.3 |
Ketones | ||||
Acetone | 35.6 | 46.8 | 37.1 | 46.0 |
2-Butanone | 79.2 | 96.3 | 81.9 | 94.4 |
2-Pentanone | 104 | 121 | 104 | 121 |
3-Pentanone | 91.6 | 115 | 93.5 | 114 |
4-Methyl-2-pentanone | 94.6 | 112 | 96.1 | 111 |
Mesityl oxide | 122 | 139 | 122 | 139 |
Cyclopentanone | 136 | 163 | 141 | 161 |
2,4-Pentanedione | 126 | 145 | 130 | 144 |
3-Heptanone | 90.4 | 106 | 91.0 | 105 |
2-Heptanone | 99.6 | 115 | 101 | 114 |
Cyclohexanone | 123 | 146 | 126 | 144 |
5-Methyl-3-heptanone | 84.7 | 101 | 86.4 | 99.3 |
3-Methylcyclohexanone | 98.2 | 125 | 100 | 123 |
Diisobutyl ketone | 68.9 | 84.7 | 70.8 | 83.4 |
4-Methylcyclohexanone | 109 | 127 | 111 | 126 |
Alkanes | ||||
Pentane | 60.1 | 71.6 | 60.7 | 71.3 |
2,3-Dimethylbutane | 70.9 | 81.8 | 72.0 | 81.1 |
Hexane | 44.6 | 68.3 | 52.3 | 64.6 |
Methylcyclopentane | 61.5 | 76.7 | 62.2 | 76.2 |
Cyclohexane | 66.7 | 83.4 | 68.7 | 82.3 |
Cyclohexane | 83.4 | 101 | 85.8 | 100 |
2,2,4-Trimethylpentane | 67.6 | 80.5 | 68.3 | 80.4 |
Heptane | 76.9 | 90.3 | 78.2 | 89.8 |
Methylcyclohexane | 60.7 | 84.8 | 68.5 | 80.5 |
1,3,5-Cycloheptatriene | 119 | 138 | 121 | 136 |
2,2,5-Trimethylhexane | 66.5 | 80.0 | 67.6 | 80.0 |
5-Ethylidene-2-norbornene | 83.4 | 103 | 86.5 | 101 |
Cyclooctane | 96.0 | 115 | 96.8 | 113 |
Nonane | 75.5 | 89.7 | 76.2 | 89.3 |
Decane | 69.7 | 82.4 | 70.8 | 81.5 |
Amines | ||||
Methylamine | 10.2 | 19.4 | 12.4 | 17.9 |
Dimethylamine | 16.1 | 22.5 | 17.1 | 21.7 |
Ethylamine | 29.4 | 54.7 | 40.5 | 49.8 |
Isopropylamine | 59.5 | 79.5 | 65.6 | 75.8 |
Propylamine | 81.4 | 116 | 90.0 | 111 |
Diethylamine | 86.7 | 106 | 88.0 | 105 |
Butylamine | 101 | 130 | 110 | 125 |
Triethylamine | 78.9 | 92.2 | 81.1 | 91.0 |
Dipropylamine | 91.8 | 106 | 93.0 | 105 |
Diisopropylamine | 74.8 | 88.2 | 77.0 | 87.1 |
Cyclohexylamine | 107 | 130 | 112 | 128 |
Dibutylamine | 73.2 | 86.5 | 75.5 | 84.8 |
Miscellaneous | ||||
Methyl iodide | 9.9 | 18.9 | 11.6 | 17.7 |
Acrylonitrile | 45.9 | 62.8 | 48.5 | 61.1 |
Dibromomethane | 77.9 | 124 | 82.0 | 121 |
Pyridine | 116 | 137 | 119 | 134 |
Epichlorohydrin | 78.8 | 114 | 85.5 | 110 |
2-Methoxyethanol | 114 | 146 | 116 | 145 |
1,2-Dibromothane | 140 | 165 | 141 | 165 |
1-Nitropropane | 140 | 165 | 143 | 164 |
2-Ethoxyethanol | 80.4 | 121 | 77.0 | 123 |
Acetic anhydride | 121 | 140 | 124 | 138 |
2-Methoxyethyl acetate | 90.8 | 115 | 93.3 | 113 |
Bromobenzene | 139 | 160 | 142 | 159 |
2-Ethoxyethyl acetate | 76.5 | 98.7 | 79.5 | 96.5 |
[Revision Date: 14 July 1998]