Table S5 List of pp-LFERs used for model validation. System pp-LFER equation Reference Air-water log -0.994+0.577E+2.549S+3.813A+4.841B-0.869V 1 K= Organic carbon-water log = 0.67+1.075E-0.277S-0.363A-1.697B+1.468V 8 K log = 0.368-0.711E+0.407S+1.73A+3.383B-3.493V-1.036AB-0.005 (mp-25) K Water solubility 9 where = melting point (°C) mp Physical-chemical properties of experimental measurements and model predictions. Table S6 Exp-APa Property Compound Observed Organic (log L∙kg-1) RDX 2.09 -0.31 1.8010 2.0012 Koc, HMX 2.06 -0.68 TNT 2.53 2.85 2.7212 TNB 2.28 2.60 1.8814 Water-air RDX 9.43 15.18 9.1015 (log Kwa, HMX 13.76 20.31 12.9715 Lair/Lwater) TNT 6.56 6.56 6.3515 -2.24 Water solubility RDX 2.34 -3.7216 -3.7213
Table S5 List of pp-LFERs used for model validation. System pp-LFER equation Reference Air-water log K= -0.994+0.577E+2.549S+3.813A+4.841B-0.869V 1 Organic carbon-water log K = 0.67+1.075E-0.277S-0.363A-1.697B+1.468V 8 Water solubility log K = 0.368-0.711E+0.407S+1.73A+3.383B-3.493V-1.036AB-0.005 (mp-25) where mp = melting point (°C) 9 Table S6 Physical-chemical properties of experimental measurements and model predictions. Property Compound Exp-APa Observed Organic (log Koc, L∙kg-1) RDX 2.09 -0.31 1.8010 2.0012 HMX 2.06 -0.68 TNT 2.53 2.85 2.7212 TNB 2.28 2.60 1.8814 Water-air (log Kwa, Lair/Lwater) RDX 9.43 15.18 9.1015 HMX 13.76 20.31 12.9715 TNT 6.56 6.56 6.3515 Water solubility RDX -2.24 2.34 -3.7216 -3.7213
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