Output.txt (null)CAS Num: 069327-76-0SMILES : c1ccccc1N2CSC(=NC(C)(C)C)N(C(C)C)C2(=O)CHEM : BuprofezinMOL FOR: C16 H23 N3 O1 S1 MOL WT : 305.44------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 4.30 Log Kow (Exper. database match) = 4.30 Exper. Ref: TOMLIN,C (2003)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 408.64 (Adapted Stein & Brown method) Melting Pt (deg C): 151.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.45E-007 (Modified Grain method) VP (Pa, 25 deg C) : 0.000113 (Modified Grain method) MP (exp database): 105 deg C VP (exp database): 9.40E-06 mm Hg (1.25E-003 Pa) at 25 deg C Subcooled liquid VP: 5.81E-005 mm Hg (25 deg C, exp database VP ) : 0.00775 Pa (25 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 2.427 log Kow used: 4.30 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.9 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.8245 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Neutral Organics(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 8.95E-009 atm-m3/mole (9.07E-004 Pa-m3/mole) Group Method: Incomplete Exper Database: 4.20E-06 atm-m3/mole (4.26E-001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.399E-007 atm-m3/mole (1.418E-002 Pa-m3/mole) VP: 8.45E-007 mm Hg (source: MPBPVP) WS: 2.43 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (exp database) Log Kaw used: -3.765 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.065 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5463 Biowin2 (Non-Linear Model) : 0.2222 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3341 (weeks-months) Biowin4 (Primary Survey Model) : 3.2585 (days-weeks ) MITI Biodegradation Probability:

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Output.txt Biowin5 (MITI Linear Model) : -0.1167 Biowin6 (MITI Non-Linear Model): 0.0063 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4408 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00775 Pa (5.81E-005 mm Hg) Log Koa (Koawin est ): 8.065 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000387 Octanol/air (Koa) model: 2.85E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0138 Mackay model : 0.0301 Octanol/air (Koa) model: 0.00228 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.7762 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.387 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0219 (Junge-Pankow, Mackay avg) 0.00228 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 3473 L/kg (MCI method) Log Koc: 3.541 (MCI method) Koc : 1608 L/kg (Kow method) Log Koc: 3.206 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.504 (BCF = 319.3 L/kg wet-wt) Log Biotransformation Half-life (HL) = -1.1205 days (HL = 0.07576 days) Log BCF Arnot-Gobas method (upper trophic) = 1.512 (BCF = 32.51) Log BAF Arnot-Gobas method (upper trophic) = 1.512 (BAF = 32.51) log Kow used: 4.30 (expkow database)(null) Volatilization from Water: Henry LC: 4.2E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 245.4 hours (10.23 days) Half-Life from Model Lake : 2824 hours (117.7 days)(null) Removal In Wastewater Treatment: Total removal: 45.36 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.79 percent Total to Air: 0.13 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.198 4.77 1000 Water 16.9 900 1000 Soil 79.6 1.8e+003 1000 Sediment 3.36 8.1e+003 0 Persistence Time: 1.09e+003 hr

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Output.txt(null)(null)(null)========================(null)098243-83-5 NO CAS Match in SMILECAS106700-29-2 NO CAS Match in SMILECAS(null)CAS Num: 076608-88-3SMILES : n1cnn(C(=CC2CCCCC2)C(C(C)(C)C)O)c1CHEM : TriapenthenolMOL FOR: C15 H25 N3 O1 MOL WT : 263.39------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 3.68(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 365.61 (Adapted Stein & Brown method) Melting Pt (deg C): 134.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.48E-007 (Modified Grain method) VP (Pa, 25 deg C) : 1.98E-005 (Modified Grain method) Subcooled liquid VP: 1.86E-006 mm Hg (25 deg C, Mod-Grain method) : 0.000248 Pa (25 deg C, Mod-Grain method)(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 45.95 log Kow used: 3.68 (estimated) no-melting pt equation used(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3789.4 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Vinyl/Allyl Alcohols Triazoles (Non-Fused)(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 9.79E-009 atm-m3/mole (9.92E-004 Pa-m3/mole) Group Method: Incomplete For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.116E-009 atm-m3/mole (1.131E-004 Pa-m3/mole) VP: 1.48E-007 mm Hg (source: MPBPVP) WS: 46 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.68 (KowWin est) Log Kaw used: -6.398 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.078 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5970 Biowin2 (Non-Linear Model) : 0.2080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5650 (weeks-months) Biowin4 (Primary Survey Model) : 3.4437 (days-weeks )

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Output.txt MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2416 Biowin6 (MITI Non-Linear Model): 0.0836 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5949 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000248 Pa (1.86E-006 mm Hg) Log Koa (Koawin est ): 10.078 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0121 Octanol/air (Koa) model: 0.00294 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.304 Mackay model : 0.492 Octanol/air (Koa) model: 0.19 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.9938 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.211 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.398 (Junge-Pankow, Mackay avg) 0.19 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 575.2 L/kg (MCI method) Log Koc: 2.760 (MCI method) Koc : 418.9 L/kg (Kow method) Log Koc: 2.622 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 1.843 (BCF = 69.6 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.5521 days (HL = 3.565 days) Log BCF Arnot-Gobas method (upper trophic) = 2.580 (BCF = 380.5) Log BAF Arnot-Gobas method (upper trophic) = 2.582 (BAF = 381.7) log Kow used: 3.68 (estimated)(null) Volatilization from Water: Henry LC: 9.79E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.706E+004 hours (4044 days) Half-Life from Model Lake : 1.059E+006 hours (4.412E+004 days)(null) Removal In Wastewater Treatment: Total removal: 17.82 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.59 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0114 0.275 1000 Water 18.3 900 1000

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Output.txt Soil 81.1 1.8e+003 1000 Sediment 0.582 8.1e+003 0 Persistence Time: 1.08e+003 hr(null)(null)(null)========================(null)001070-20-8 NO CAS Match in SMILECAS158755-95-4 NO CAS Match in SMILECAS201593-84-2 NO CAS Match in SMILECAS(null)CAS Num: 104030-54-8SMILES : CLC1(CL)C(C)C1(CC)C(=O)NC(C)c2ccc(CL)cc2CHEM : KTU 3616MOL FOR: C15 H18 CL3 N1 O1 MOL WT : 334.68------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 4.63 Log Kow (Exper. database match) = 4.23 Exper. Ref: BIOBYTE STARLIST (2009) Log Kow (Exper. database match) = 4.28 Exper. Ref: TOMLIN,C (1997) Log Kow (Exper. database match) = 4.23 Exper. Ref: TOMLIN,C (1997)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 418.73 (Adapted Stein & Brown method) Melting Pt (deg C): 174.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-007 (Modified Grain method) VP (Pa, 25 deg C) : 2.23E-005 (Modified Grain method) MP (exp database): 147 deg C VP (exp database): 1.88E-08 mm Hg (2.51E-006 Pa) at 20 deg C Subcooled liquid VP: 3.03E-007 mm Hg (20 deg C, exp database VP ) : 4.03E-005 Pa (20 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 1.87 log Kow used: 4.23 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.8 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997); pH 7(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.9874 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Amides (null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 4.40E-010 atm-m3/mole (4.46E-005 Pa-m3/mole) Group Method: Incomplete Exper Database: 4.60E-09 atm-m3/mole (4.66E-004 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 3.956E-008 atm-m3/mole (4.009E-003 Pa-m3/mole) VP: 1.68E-007 mm Hg (source: MPBPVP)

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Output.txt WS: 1.87 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.23 (exp database) Log Kaw used: -6.726 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.956 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0253 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4282 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8969 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0729 Biowin6 (MITI Non-Linear Model): 0.0029 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3538 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.04E-005 Pa (3.03E-007 mm Hg) Log Koa (Koawin est ): 10.956 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0743 Octanol/air (Koa) model: 0.0222 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.728 Mackay model : 0.856 Octanol/air (Koa) model: 0.64 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.2869 E-12 cm3/molecule-sec Half-Life = 0.555 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.655 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.792 (Junge-Pankow, Mackay avg) 0.64 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 1.553E+004 L/kg (MCI method) Log Koc: 4.191 (MCI method) Koc : 1735 L/kg (Kow method) Log Koc: 3.239 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.458 (BCF = 287 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.2410 days (HL = 0.5742 days) Log BCF Arnot-Gobas method (upper trophic) = 2.331 (BCF = 214) Log BAF Arnot-Gobas method (upper trophic) = 2.331 (BAF = 214.1) log Kow used: 4.23 (expkow database)(null) Volatilization from Water: Henry LC: 4.6E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.328E+005 hours (9702 days) Half-Life from Model Lake : 2.54E+006 hours (1.058E+005 days)(null)

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Output.txt Removal In Wastewater Treatment: Total removal: 41.52 percent Total biodegradation: 0.41 percent Total sludge adsorption: 41.11 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00777 13.3 1000 Water 3.64 4.32e+003 1000 Soil 89.7 8.64e+003 1000 Sediment 6.7 3.89e+004 0 Persistence Time: 8.23e+003 hr(null)(null)(null)========================(null)(null)CAS Num: 023184-66-9SMILES : CCCCOCN(C(=O)CCL)c1c(CC)cccc1CCCHEM : ButachlorMOL FOR: C17 H26 CL1 N1 O2 MOL WT : 311.86------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 4.84 Log Kow (Exper. database match) = 4.50 Exper. Ref: HANSCH,C ET AL. (1995)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 412.99 (Adapted Stein & Brown method) Melting Pt (deg C): 152.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.01E-006 (Modified Grain method) VP (Pa, 25 deg C) : 0.000535 (Modified Grain method) MP (exp database): -2.8 deg C BP (exp database): 156 @ 0.5 mm Hg deg C VP (exp database): 2.90E-06 mm Hg (3.87E-004 Pa) at 25 deg C(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 1.502 log Kow used: 4.50 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 20 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.586 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Haloacetamides(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 5.22E-008 atm-m3/mole (5.29E-003 Pa-m3/mole) Group Method: Incomplete Exper Database: 5.10E-08 atm-m3/mole (5.17E-003 Pa-m3/mole) For Henry LC Comparison Purposes:

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Output.txt User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.096E-006 atm-m3/mole (1.110E-001 Pa-m3/mole) VP: 4.01E-006 mm Hg (source: MPBPVP) WS: 1.5 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.50 (exp database) Log Kaw used: -5.681 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.181 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5682 Biowin2 (Non-Linear Model) : 0.2665 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4226 (weeks-months) Biowin4 (Primary Survey Model) : 3.6249 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0751 Biowin6 (MITI Non-Linear Model): 0.0176 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9601 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000387 Pa (2.9E-006 mm Hg) Log Koa (Koawin est ): 10.181 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00776 Octanol/air (Koa) model: 0.00372 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.219 Mackay model : 0.383 Octanol/air (Koa) model: 0.23 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.6026 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.268 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.301 (Junge-Pankow, Mackay avg) 0.23 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 1890 L/kg (MCI method) Log Koc: 3.277 (MCI method) Koc : 1890 L/kg (Kow method) Log Koc: 3.276 (Kow method) Experimental Log Koc: 2.86 (database)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.636 (BCF = 432.6 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.2665 days (HL = 0.5413 days) Log BCF Arnot-Gobas method (upper trophic) = 2.331 (BCF = 214.2) Log BAF Arnot-Gobas method (upper trophic) = 2.331 (BAF = 214.3) log Kow used: 4.50 (expkow database)(null)

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Output.txt Volatilization from Water: Henry LC: 5.1E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.028E+004 hours (844.8 days) Half-Life from Model Lake : 2.213E+005 hours (9222 days)(null) Removal In Wastewater Treatment: Total removal: 56.03 percent Total biodegradation: 0.52 percent Total sludge adsorption: 55.51 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.125 4.54 1000 Water 15.6 900 1000 Soil 82.6 1.8e+003 1000 Sediment 1.66 8.1e+003 0 Persistence Time: 1.25e+003 hr(null)(null)(null)========================(null)(null)CAS Num: 061676-87-7SMILES : S1C=CN(C)C1=Nc2ccc(C)cc2CCHEM : TifatolMOL FOR: C12 H14 N2 S1 MOL WT : 218.32------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 2.53(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 324.09 (Adapted Stein & Brown method) Melting Pt (deg C): 102.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000361 (Modified Grain method) VP (Pa, 25 deg C) : 0.0482 (Modified Grain method) MP (exp database): 44.0 deg C VP (exp database): 1.80E-05 mm Hg (2.40E-003 Pa) at 20 deg C Subcooled liquid VP: 2.77E-005 mm Hg (20 deg C, exp database VP ) : 0.0037 Pa (20 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 2496 log Kow used: 2.53 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 150 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994); pH 9(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2991.7 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Aliphatic Amines(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

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Output.txt Bond Method : 1.53E-008 atm-m3/mole (1.55E-003 Pa-m3/mole) Group Method: Incomplete Exper Database: 3.45E-08 atm-m3/mole (3.50E-003 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 4.155E-008 atm-m3/mole (4.210E-003 Pa-m3/mole) VP: 0.000361 mm Hg (source: MPBPVP) WS: 2.5E+003 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.53 (KowWin est) Log Kaw used: -5.851 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.381 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7529 Biowin2 (Non-Linear Model) : 0.7432 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5670 (weeks-months) Biowin4 (Primary Survey Model) : 3.3957 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1830 Biowin6 (MITI Non-Linear Model): 0.0615 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4204 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00369 Pa (2.77E-005 mm Hg) Log Koa (Koawin est ): 8.381 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000812 Octanol/air (Koa) model: 5.9E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0285 Mackay model : 0.061 Octanol/air (Koa) model: 0.0047 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 117.6542 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.091 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0448 (Junge-Pankow, Mackay avg) 0.0047 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 4972 L/kg (MCI method) Log Koc: 3.697 (MCI method) Koc : 181.6 L/kg (Kow method) Log Koc: 2.259 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 1.333 (BCF = 21.53 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.3248 days (HL = 0.4733 days)

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Output.txt Log BCF Arnot-Gobas method (upper trophic) = 1.477 (BCF = 30.01) Log BAF Arnot-Gobas method (upper trophic) = 1.477 (BAF = 30.01) log Kow used: 2.53 (estimated)(null) Volatilization from Water: Henry LC: 3.45E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.508E+004 hours (1045 days) Half-Life from Model Lake : 2.737E+005 hours (1.14E+004 days)(null) Removal In Wastewater Treatment: Total removal: 3.19 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.08 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0659 2.15 1000 Water 15.2 900 1000 Soil 80.3 1.8e+003 1000 Sediment 4.37 8.1e+003 0 Persistence Time: 1.25e+003 hr(null)(null)(null)========================(null) (null)CAS Num: 087818-31-3SMILES : C1C(C(C)C)(O2)CCC2(C)C1OCc3ccccc3CCHEM : CinmethylinMOL FOR: C18 H26 O2 MOL WT : 274.41------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 4.55 Log Kow (Exper. database match) = 4.62 Exper. Ref: BIOBYTE (1995)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 334.54 (Adapted Stein & Brown method) Melting Pt (deg C): 103.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000976 (Modified Grain method) VP (Pa, 25 deg C) : 0.13 (Modified Grain method) MP (exp database): < 25 deg C BP (exp database): 313 deg C VP (exp database): 7.57E-05 mm Hg (1.01E-002 Pa) at 20 deg C(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 1.955 log Kow used: 4.62 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 63 mg/L (20 deg C) Exper. Ref: SHIU,WY ET AL. (1990)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.1247 mg/L(null)

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Output.txt ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Neutral Organics(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 2.12E-007 atm-m3/mole (2.15E-002 Pa-m3/mole) Group Method: 4.77E-009 atm-m3/mole (4.83E-004 Pa-m3/mole) Exper Database: 4.34E-07 atm-m3/mole (4.40E-002 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.803E-004 atm-m3/mole (1.826E+001 Pa-m3/mole) VP: 0.000976 mm Hg (source: MPBPVP) WS: 1.96 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.62 (exp database) Log Kaw used: -4.751 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.371 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3910 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0763 (months ) Biowin4 (Primary Survey Model) : 3.0569 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0748 Biowin6 (MITI Non-Linear Model): 0.0263 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8329 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0101 Pa (7.57E-005 mm Hg) Log Koa (Koawin est ): 9.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000297 Octanol/air (Koa) model: 0.000577 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0106 Mackay model : 0.0232 Octanol/air (Koa) model: 0.0441 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.9606 E-12 cm3/molecule-sec Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.141 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0169 (Junge-Pankow, Mackay avg) 0.0441 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 6079 L/kg (MCI method) Log Koc: 3.784 (MCI method) Koc : 1992 L/kg (Kow method) Log Koc: 3.299 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!

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Output.txt(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.715 (BCF = 519.1 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.4211 days (HL = 2.637 days) Log BCF Arnot-Gobas method (upper trophic) = 2.938 (BCF = 867.9) Log BAF Arnot-Gobas method (upper trophic) = 2.945 (BAF = 880.6) log Kow used: 4.62 (expkow database)(null) Volatilization from Water: Henry LC: 4.34E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2236 hours (93.18 days) Half-Life from Model Lake : 2.454E+004 hours (1022 days)(null) Removal In Wastewater Treatment: Total removal: 62.17 percent Total biodegradation: 0.57 percent Total sludge adsorption: 61.59 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.108 4.28 1000 Water 12.8 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 5.79 1.3e+004 0 Persistence Time: 1.74e+003 hr(null)(null)(null)========================(null)(null)CAS Num: 033956-49-9SMILES : OCCCCCCCC=CC=CCCHEM : 8,10-Dodecadien-1-ol, (E,E)-MOL FOR: C12 H22 O1 MOL WT : 182.31------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 4.34(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 282.81 (Adapted Stein & Brown method) Melting Pt (deg C): 26.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00035 (Modified Grain method) VP (Pa, 25 deg C) : 0.0466 (Modified Grain method) MP (exp database): 32 deg C BP (exp database): 115 @ 2 mm Hg deg C VP (exp database): 5.18E-04 mm Hg (6.91E-002 Pa) at 20 deg C Subcooled liquid VP: 0.000608 mm Hg (20 deg C, exp database VP ) : 0.081 Pa (20 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 34.15 log Kow used: 4.34 (estimated) no-melting pt equation used(null) Water Sol Estimate from Fragments:

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Output.txt Wat Sol (v1.01 est) = 37.364 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Neutral Organics(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 6.07E-005 atm-m3/mole (6.15E+000 Pa-m3/mole) Group Method: 7.39E-006 atm-m3/mole (7.48E-001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 2.459E-006 atm-m3/mole (2.491E-001 Pa-m3/mole) VP: 0.00035 mm Hg (source: MPBPVP) WS: 34.1 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.34 (KowWin est) Log Kaw used: -2.605 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.945 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9279 Biowin2 (Non-Linear Model) : 0.9671 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2546 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9832 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7020 Biowin6 (MITI Non-Linear Model): 0.8032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4594 Ready Biodegradability Prediction: YES(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0811 Pa (0.000608 mm Hg) Log Koa (Koawin est ): 6.945 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.7E-005 Octanol/air (Koa) model: 2.16E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00133 Mackay model : 0.00295 Octanol/air (Koa) model: 0.000173 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 154.5109 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.831 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 32.000000 E-17 cm3/molecule-sec Half-Life = 0.036 Days (at 7E11 mol/cm3) Half-Life = 51.570 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00214 (Junge-Pankow, Mackay avg) 0.000173 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 422.3 L/kg (MCI method) Log Koc: 2.626 (MCI method) Koc : 820.8 L/kg (Kow method)

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Output.txt Log Koc: 2.914 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 1.156 (BCF = 14.33 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.1116 days (HL = 1.293 days) Log BCF Arnot-Gobas method (upper trophic) = 2.642 (BCF = 438.7) Log BAF Arnot-Gobas method (upper trophic) = 2.643 (BAF = 439.6) log Kow used: 4.34 (estimated)(null) Volatilization from Water: Henry LC: 6.07E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 14.4 hours Half-Life from Model Lake : 270.3 hours (11.26 days)(null) Removal In Wastewater Treatment: Total removal: 48.56 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.53 percent Total to Air: 1.59 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.114 0.566 1000 Water 26.4 208 1000 Soil 73.2 416 1000 Sediment 0.34 1.87e+003 0 Persistence Time: 265 hr(null)(null)(null)========================(null)(null)CAS Num: 002636-26-2SMILES : COP(=S)(OC)Oc1ccc(C(#N))cc1CHEM : CyanophosMOL FOR: C9 H10 N1 O3 P1 S1 MOL WT : 243.22------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 2.76 Log Kow (Exper. database match) = 2.71 Exper. Ref: DEBRUIJN,J & HERMENS,J (1991)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 339.33 (Adapted Stein & Brown method) Melting Pt (deg C): 15.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000236 (Modified Grain method) VP (Pa, 25 deg C) : 0.0315 (Modified Grain method) MP (exp database): 14.5 deg C BP (exp database): 119-120 @ 0.09 mm Hg deg C VP (exp database): 7.88E-04 mm Hg (1.05E-001 Pa) at 20 deg C(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 67.92

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Output.txt log Kow used: 2.71 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 46 mg/L (30 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.076 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Esters, Monothiophosphates(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 4.12E-007 atm-m3/mole (4.17E-002 Pa-m3/mole) Group Method: Incomplete Exper Database: 5.48E-06 atm-m3/mole (5.55E-001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.112E-006 atm-m3/mole (1.127E-001 Pa-m3/mole) VP: 0.000236 mm Hg (source: MPBPVP) WS: 67.9 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (exp database) Log Kaw used: -3.650 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.360 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2527 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7330 (weeks-months) Biowin4 (Primary Survey Model) : 3.8970 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2486 Biowin6 (MITI Non-Linear Model): 0.0684 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8222 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.105 Pa (0.000788 mm Hg) Log Koa (Koawin est ): 6.360 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.86E-005 Octanol/air (Koa) model: 5.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00103 Mackay model : 0.00228 Octanol/air (Koa) model: 4.5E-005 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.2141 E-12 cm3/molecule-sec Half-Life = 0.181 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.168 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00165 (Junge-Pankow, Mackay avg) 4.5E-005 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null)

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Output.txt Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 308.9 L/kg (MCI method) Log Koc: 2.490 (MCI method) Koc : 530.3 L/kg (Kow method) Log Koc: 2.725 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Phosphorus esters hydrolysis rates available (see Full Output)(null)(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 1.455 (BCF = 28.51 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.1521 days (HL = 1.42 days) Log BCF Arnot-Gobas method (upper trophic) = 1.709 (BCF = 51.14) Log BAF Arnot-Gobas method (upper trophic) = 1.709 (BAF = 51.14) log Kow used: 2.71 (expkow database)(null) Volatilization from Water: Henry LC: 5.48E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 168.2 hours (7.009 days) Half-Life from Model Lake : 1966 hours (81.91 days)(null) Removal In Wastewater Treatment: Total removal: 4.15 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.74 percent Total to Air: 0.30 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.208 4.33 1000 Water 20 900 1000 Soil 79.5 1.8e+003 1000 Sediment 0.348 8.1e+003 0 Persistence Time: 986 hr(null)(null)(null)========================(null)(null)CAS Num: 041205-09-8SMILES : C(C)(C)CCCC(C)CC=CC(C)=CC(=O)OCCCHEM : Hydroprene (E,E)-(+-)MOL FOR: C17 H30 O2 MOL WT : 266.43------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 6.73(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 312.86 (Adapted Stein & Brown method) Melting Pt (deg C): 8.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000983 (Modified Grain method) VP (Pa, 25 deg C) : 0.131 (Modified Grain method) MP (exp database): < 25 deg C BP (exp database): 174 @ 19 mm Hg deg C VP (exp database): 2.44E-04 mm Hg (3.25E-002 Pa) at 25 deg C

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Output.txt(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 0.0344 log Kow used: 6.73 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994); pH 7 Water Sol (Exper. database match) = 2 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997); pH 7(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.27774 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Esters(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 3.67E-003 atm-m3/mole (3.72E+002 Pa-m3/mole) Group Method: 6.43E-004 atm-m3/mole (6.52E+001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.002E-002 atm-m3/mole (1.015E+003 Pa-m3/mole) VP: 0.000983 mm Hg (source: MPBPVP) WS: 0.0344 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.73 (KowWin est) Log Kaw used: -0.824 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.554 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7949 Biowin2 (Non-Linear Model) : 0.9646 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7506 (weeks ) Biowin4 (Primary Survey Model) : 3.6923 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4296 Biowin6 (MITI Non-Linear Model): 0.3569 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1878 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0325 Pa (0.000244 mm Hg) Log Koa (Koawin est ): 7.554 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.22E-005 Octanol/air (Koa) model: 8.79E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00332 Mackay model : 0.00732 Octanol/air (Koa) model: 0.000703 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.5087 E-12 cm3/molecule-sec Half-Life = 0.135 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.614 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 34.222500 E-17 cm3/molecule-sec Half-Life = 0.033 Days (at 7E11 mol/cm3)

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Output.txt Half-Life = 48.221 Min Fraction sorbed to airborne particulates (phi): 0.00532 (Junge-Pankow, Mackay avg) 0.000703 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 9318 L/kg (MCI method) Log Koc: 3.969 (MCI method) Koc : 3.82E+004 L/kg (Kow method) Log Koc: 4.582 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Total Kb for pH > 8 at 25 deg C : 6.237E-003 L/mol-sec Kb Half-Life at pH 8: 3.521 years Kb Half-Life at pH 7: 35.212 years (Total Kb applies only to esters, carbmates, alkyl halides)(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 4.106 (BCF = 1.276e+004 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.3474 days (HL = 2.226 days) Log BCF Arnot-Gobas method (upper trophic) = 2.636 (BCF = 432.1) Log BAF Arnot-Gobas method (upper trophic) = 2.976 (BAF = 945.4) log Kow used: 6.73 (estimated)(null) Volatilization from Water: Henry LC: 0.000643 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.152 hours Half-Life from Model Lake : 171.3 hours (7.135 days)(null) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.82 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0941 0.644 1000 Water 17.5 360 1000 Soil 78.6 720 1000 Sediment 3.85 3.24e+003 0 Persistence Time: 435 hr(null)(null)(null)========================(null)(null)CAS Num: 086598-92-7SMILES : CLc1cc(CL)ccc1N=C(SCc2ccc(CL)cc2)Cn3ncnc3CHEM : ImibenconazoleMOL FOR: C17 H13 CL3 N4 S1 MOL WT : 411.74------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 5.64 Log Kow (Exper. database match) = 4.94

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Output.txt Exper. Ref: TOMLIN,C (1997)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 494.16 (Adapted Stein & Brown method) Melting Pt (deg C): 209.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.12E-009 (Modified Grain method) VP (Pa, 25 deg C) : 1.22E-006 (Modified Grain method) MP (exp database): 90 deg C VP (exp database): 6.38E-10 mm Hg (8.51E-008 Pa) at 25 deg C Subcooled liquid VP: 2.8E-009 mm Hg (25 deg C, exp database VP ) : 3.74E-007 Pa (25 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 0.1565 log Kow used: 4.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.7 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.26735 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Triazoles (Non-Fused)(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 2.51E-010 atm-m3/mole (2.54E-005 Pa-m3/mole) Group Method: Incomplete Exper Database: 2.03E-10 atm-m3/mole (2.06E-005 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 3.157E-008 atm-m3/mole (3.199E-003 Pa-m3/mole) VP: 9.12E-009 mm Hg (source: MPBPVP) WS: 0.157 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.94 (exp database) Log Kaw used: -8.081 (exp database) Log Koa (KOAWIN v1.10 estimate): 13.021 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0043 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6695 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7577 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4266 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2109 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.73E-007 Pa (2.8E-009 mm Hg) Log Koa (Koawin est ): 13.021 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.04 Octanol/air (Koa) model: 2.58 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.998

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Output.txt Octanol/air (Koa) model: 0.995 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.9636 E-12 cm3/molecule-sec Half-Life = 0.825 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.901 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge-Pankow, Mackay avg) 0.995 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 1.11E+006 L/kg (MCI method) Log Koc: 6.045 (MCI method) Koc : 7496 L/kg (Kow method) Log Koc: 3.875 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.926 (BCF = 844.1 L/kg wet-wt) Log Biotransformation Half-life (HL) = 1.6111 days (HL = 40.84 days) Log BCF Arnot-Gobas method (upper trophic) = 3.701 (BCF = 5026) Log BAF Arnot-Gobas method (upper trophic) = 4.227 (BAF = 1.685e+004) log Kow used: 4.94 (expkow database)(null) Volatilization from Water: Henry LC: 2.03E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 5.852E+006 hours (2.438E+005 days) Half-Life from Model Lake : 6.384E+007 hours (2.66E+006 days)(null) Removal In Wastewater Treatment: Total removal: 75.71 percent Total biodegradation: 0.66 percent Total sludge adsorption: 75.05 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000476 19.8 1000 Water 0.811 4.32e+003 1000 Soil 55.5 8.64e+003 1000 Sediment 43.7 3.89e+004 0 Persistence Time: 1.42e+004 hr(null)(null)(null)========================(null)(null)CAS Num: 087392-12-9SMILES : Cc1cccc(CC)c1N(C(=O)CCL)C(C)COCCHEM : S-MetolachlorMOL FOR: C15 H22 CL1 N1 O2 MOL WT : 283.80------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------

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Output.txt Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 3.24 Log Kow (Exper. database match) = 3.13 Exper. Ref: HANSCH,C ET AL. (1995) Log Kow (Exper. database match) = 2.90 Exper. Ref: WSSA (1998)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 382.78 (Adapted Stein & Brown method) Melting Pt (deg C): 136.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00505 (Modified Grain method) VP (Pa, 25 deg C) : 0.673 (Modified Grain method) MP (exp database): -40 deg C BP (exp database): 282 deg C VP (exp database): 3.14E-05 mm Hg (4.19E-003 Pa) at 25 deg C(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 50.86 log Kow used: 2.90 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 530 mg/L (20 deg C) Exper. Ref: WAUCHOPE,RD ET AL. (1992)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 227.63 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Haloacetamides(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 1.49E-009 atm-m3/mole (1.51E-004 Pa-m3/mole) Group Method: Incomplete Exper Database: 9.00E-09 atm-m3/mole (9.12E-004 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 3.708E-005 atm-m3/mole (3.757E+000 Pa-m3/mole) VP: 0.00505 mm Hg (source: MPBPVP) WS: 50.9 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.90 (exp database) Log Kaw used: -6.434 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.334 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4732 Biowin2 (Non-Linear Model) : 0.0789 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1862 (months ) Biowin4 (Primary Survey Model) : 3.3963 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0568 Biowin6 (MITI Non-Linear Model): 0.0153 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1361 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00419 Pa (3.14E-005 mm Hg) Log Koa (Koawin est ): 9.334

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Output.txt Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000717 Octanol/air (Koa) model: 0.00053 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0252 Mackay model : 0.0542 Octanol/air (Koa) model: 0.0407 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.8910 E-12 cm3/molecule-sec Half-Life = 0.191 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.296 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0397 (Junge-Pankow, Mackay avg) 0.0407 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 488.5 L/kg (MCI method) Log Koc: 2.689 (MCI method) Koc : 246.3 L/kg (Kow method) Log Koc: 2.391 (Kow method) Experimental Log Koc: 2.46 (database)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 1.580 (BCF = 38.06 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.7349 days (HL = 0.1841 days) Log BCF Arnot-Gobas method (upper trophic) = 1.594 (BCF = 39.22) Log BAF Arnot-Gobas method (upper trophic) = 1.594 (BAF = 39.22) log Kow used: 2.90 (expkow database)(null) Volatilization from Water: Henry LC: 9E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.096E+005 hours (4566 days) Half-Life from Model Lake : 1.196E+006 hours (4.982E+004 days)(null) Removal In Wastewater Treatment: Total removal: 4.93 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.81 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0337 4.59 1000 Water 11.8 1.44e+003 1000 Soil 87.9 2.88e+003 1000 Sediment 0.353 1.3e+004 0 Persistence Time: 2.27e+003 hr(null)(null)(null)========================(null)139001-49-3 NO CAS Match in SMILECAS(null)CAS Num: 123343-16-8SMILES : O([Na])C(=O)c1c(CL)cccc1Sc2nc(OC)cc(OC)n2CHEM : Pyrithiobac-sodium saltMOL FOR: C13 H10 CL1 N2 O4 S1 Na1

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Output.txtMOL WT : 348.74------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = -0.31 Log Kow (Exper. database match) = 0.60 Exper. Ref: TOMLIN,C (1997); pH 5(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 659.18 (Adapted Stein & Brown method) Melting Pt (deg C): 286.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.74E-015 (Modified Grain method) VP (Pa, 25 deg C) : 1.03E-012 (Modified Grain method) MP (exp database): 248 deg C VP (exp database): 3.60E-11 mm Hg (4.80E-009 Pa) at 25 deg C Subcooled liquid VP: 5.78E-009 mm Hg (25 deg C, exp database VP ) : 7.7E-007 Pa (25 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 1938 log Kow used: 0.60 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 7.28e+005 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 653.25 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Neutral Organics-acid(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 2.88E-012 atm-m3/mole (2.92E-007 Pa-m3/mole) Group Method: Incomplete Exper Database: 2.27E-17 atm-m3/mole (2.30E-012 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.833E-018 atm-m3/mole (1.857E-013 Pa-m3/mole) VP: 7.74E-015 mm Hg (source: MPBPVP) WS: 1.94E+003 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.60 (exp database) Log Kaw used: -15.032 (exp database) Log Koa (KOAWIN v1.10 estimate): 15.632 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8502 Biowin2 (Non-Linear Model) : 0.9635 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2421 (months ) Biowin4 (Primary Survey Model) : 3.3730 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5473 Biowin6 (MITI Non-Linear Model): 0.1799 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5146 Ready Biodegradability Prediction: NO

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Output.txt(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.71E-007 Pa (5.78E-009 mm Hg) Log Koa (Koawin est ): 15.632 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.89 Octanol/air (Koa) model: 1.05E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 190.0752 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.675 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge-Pankow, Mackay avg) 1 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 713.4 L/kg (MCI method) Log Koc: 2.853 (MCI method) Koc : 3.976 L/kg (Kow method) Log Koc: 0.599 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.2236 days (HL = 0.5975 days) Log BCF Arnot-Gobas method (upper trophic) = 1.669 (BCF = 46.63) Log BAF Arnot-Gobas method (upper trophic) = 1.669 (BAF = 46.63) log Kow used: 2.74 (estimated)(null) Volatilization from Water: Henry LC: 2.27E-017 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4.817E+013 hours (2.007E+012 days) Half-Life from Model Lake : 5.254E+014 hours (2.189E+013 days)(null) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.34e-005 1.35 1000 Water 9.81 1.44e+003 1000 Soil 89.8 2.88e+003 1000 Sediment 0.44 1.3e+004 0 Persistence Time: 2.76e+003 hr(null)(null)(null)========================(null)

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Output.txt(null)CAS Num: 034681-10-2SMILES : CSC(C)C(C)=NOC(=O)NCCHEM : ButocarboximMOL FOR: C7 H14 N2 O2 S1 MOL WT : 190.26------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 1.21 Log Kow (Exper. database match) = 1.10 Exper. Ref: TOMLIN,C (1997)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 253.10 (Adapted Stein & Brown method) Melting Pt (deg C): 13.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0231 (Mean VP of Antoine & Grain methods) VP (Pa, 25 deg C) : 3.08 (Mean VP of Antoine & Grain methods) MP (exp database): 25 deg C VP (exp database): 7.95E-05 mm Hg (1.06E-002 Pa) at 20 deg C(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 5634 log Kow used: 1.10 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3.5e+004 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3130.2 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Oxime Carbamate Ester (null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 3.57E-009 atm-m3/mole (3.61E-004 Pa-m3/mole) Group Method: Incomplete Exper Database: 5.70E-10 atm-m3/mole (5.78E-005 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.026E-006 atm-m3/mole (1.040E-001 Pa-m3/mole) VP: 0.0231 mm Hg (source: MPBPVP) WS: 5.63E+003 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.10 (exp database) Log Kaw used: -7.633 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.733 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6570 Biowin2 (Non-Linear Model) : 0.5761 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7787 (weeks ) Biowin4 (Primary Survey Model) : 3.5732 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0971 Biowin6 (MITI Non-Linear Model): 0.0479

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Output.txt Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3519 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0106 Pa (7.95E-005 mm Hg) Log Koa (Koawin est ): 8.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000283 Octanol/air (Koa) model: 0.000133 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0101 Mackay model : 0.0221 Octanol/air (Koa) model: 0.0105 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.4277 E-12 cm3/molecule-sec Half-Life = 0.421 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.048 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0161 (Junge-Pankow, Mackay avg) 0.0105 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 27.69 L/kg (MCI method) Log Koc: 1.442 (MCI method) Koc : 30.76 L/kg (Kow method) Log Koc: 1.488 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 0.393 (BCF = 2.47 L/kg wet-wt) Log Biotransformation Half-life (HL) = -0.8977 days (HL = 0.1266 days) Log BCF Arnot-Gobas method (upper trophic) = 0.300 (BCF = 1.995) Log BAF Arnot-Gobas method (upper trophic) = 0.300 (BAF = 1.995) log Kow used: 1.10 (expkow database)(null) Volatilization from Water: Henry LC: 5.7E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.417E+006 hours (5.903E+004 days) Half-Life from Model Lake : 1.546E+007 hours (6.44E+005 days)(null) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0111 10.1 1000 Water 24.9 360 1000 Soil 75 720 1000 Sediment 0.0744 3.24e+003 0 Persistence Time: 685 hr(null)

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Output.txt(null)(null)========================(null)008001-85-2 NO CAS Match in SMILECAS (null)CAS Num: 112636-83-6SMILES : n1c(N)c(C(#N))c(N)nc1NC2CC2CHEM : CGA 183893MOL FOR: C8 H10 N6 MOL WT : 190.21------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = -0.51(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 387.78 (Adapted Stein & Brown method) Melting Pt (deg C): 160.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.75E-007 (Modified Grain method) VP (Pa, 25 deg C) : 9E-005 (Modified Grain method) Subcooled liquid VP: 1.64E-005 mm Hg (25 deg C, Mod-Grain method) : 0.00219 Pa (25 deg C, Mod-Grain method)(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 7.308e+004 log Kow used: -0.51 (estimated) no-melting pt equation used(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11703 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Anilines (Unhindered) Anilines (amino-meta)(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 7.53E-015 atm-m3/mole (7.63E-010 Pa-m3/mole) Group Method: Incomplete For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 2.312E-012 atm-m3/mole (2.342E-007 Pa-m3/mole) VP: 6.75E-007 mm Hg (source: MPBPVP) WS: 7.31E+004 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.51 (KowWin est) Log Kaw used: -12.512 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.002 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2627 Biowin2 (Non-Linear Model) : 0.3166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2916 (weeks-months) Biowin4 (Primary Survey Model) : 3.1830 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2033

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Output.txt Biowin6 (MITI Non-Linear Model): 0.0023 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1979 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00219 Pa (1.64E-005 mm Hg) Log Koa (Koawin est ): 12.002 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00137 Octanol/air (Koa) model: 0.247 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0472 Mackay model : 0.0989 Octanol/air (Koa) model: 0.952 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.6024 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.640 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0731 (Junge-Pankow, Mackay avg) 0.952 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 10 L/kg (MCI method) Log Koc: 1.000 (MCI method) Koc : 10.78 L/kg (Kow method) Log Koc: 1.033 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt) Log Biotransformation Half-life (HL) = -2.6901 days (HL = 0.002041 days) Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8989) Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8989) log Kow used: -0.51 (estimated)(null) Volatilization from Water: Henry LC: 7.53E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.072E+011 hours (4.468E+009 days) Half-Life from Model Lake : 1.17E+012 hours (4.874E+010 days)(null) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.48e-008 1.28 1000 Water 35 900 1000 Soil 64.9 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.15e+003 hr(null)

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Output.txt(null)(null)========================(null)(null)CAS Num: 051249-05-9SMILES : C1(NCCCC)(P(=O)(OCCCC)OCCCC)CCCCC1CHEM : DIBUTYL 1-BUTYLAMINOCYCLOHEXANEPHOSPHONATEMOL FOR: C18 H38 N1 O3 P1 MOL WT : 347.48------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 5.77(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 406.35 (Adapted Stein & Brown method) Melting Pt (deg C): 87.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.82E-006 (Modified Grain method) VP (Pa, 25 deg C) : 0.000776 (Modified Grain method) MP (exp database):

Output.txt Biowin4 (Primary Survey Model) : 4.0435 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3239 Biowin6 (MITI Non-Linear Model): 0.0924 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8789 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.1 Pa (0.00075 mm Hg) Log Koa (Koawin est ): 12.341 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-005 Octanol/air (Koa) model: 0.538 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00108 Mackay model : 0.00239 Octanol/air (Koa) model: 0.977 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 136.0383 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.943 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00174 (Junge-Pankow, Mackay avg) 0.977 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 6892 L/kg (MCI method) Log Koc: 3.838 (MCI method) Koc : 6929 L/kg (Kow method) Log Koc: 3.841 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Phosphorus esters hydrolysis rates available (see Full Output)(null)(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 2.097 (BCF = 125.1 L/kg wet-wt) Log Biotransformation Half-life (HL) = 0.9890 days (HL = 9.749 days) Log BCF Arnot-Gobas method (upper trophic) = 3.492 (BCF = 3106) Log BAF Arnot-Gobas method (upper trophic) = 3.984 (BAF = 9645) log Kow used: 5.77 (estimated)(null) Volatilization from Water: Henry LC: 6.57E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.661E+005 hours (6922 days) Half-Life from Model Lake : 1.812E+006 hours (7.551E+004 days)(null) Removal In Wastewater Treatment: Total removal: 90.87 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.11 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0702 1.89 1000 Water 18.4 360 1000

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Output.txt Soil 77.8 720 1000 Sediment 3.73 3.24e+003 0 Persistence Time: 641 hr(null)(null)(null)========================(null)(null)CAS Num: 034681-23-7SMILES : CS(=O)(=O)C(C)C(C)=NOC(=O)NCCHEM : ButoxycarboximMOL FOR: C7 H14 N2 O4 S1 MOL WT : 222.26------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = -0.81(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 318.17 (Adapted Stein & Brown method) Melting Pt (deg C): 90.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000188 (Modified Grain method) VP (Pa, 25 deg C) : 0.025 (Modified Grain method) MP (exp database): 87 deg C VP (exp database): 2.00E-06 mm Hg (2.67E-004 Pa) at 20 deg C Subcooled liquid VP: 8.21E-006 mm Hg (20 deg C, exp database VP ) : 0.00109 Pa (20 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 8080 log Kow used: -0.81 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2.09e+005 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3284e+005 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Oxime Carbamate Ester (null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 2.83E-011 atm-m3/mole (2.87E-006 Pa-m3/mole) Group Method: Incomplete Exper Database: 2.80E-12 atm-m3/mole (2.84E-007 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 6.804E-009 atm-m3/mole (6.895E-004 Pa-m3/mole) VP: 0.000188 mm Hg (source: MPBPVP) WS: 8.08E+003 mg/L (source: WSKOWWIN)(null) Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.81 (KowWin est) Log Kaw used: -9.941 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.131 Log Koa (experimental database): None(null) Probability of Rapid Biodegradation (BIOWIN v4.10):

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Output.txt Biowin1 (Linear Model) : 0.6417 Biowin2 (Non-Linear Model) : 0.4632 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7080 (weeks-months) Biowin4 (Primary Survey Model) : 3.5271 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0019 Biowin6 (MITI Non-Linear Model): 0.0196 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3519 Ready Biodegradability Prediction: NO(null)Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!(null) Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00109 Pa (8.21E-006 mm Hg) Log Koa (Koawin est ): 9.131 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00274 Octanol/air (Koa) model: 0.000332 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0901 Mackay model : 0.18 Octanol/air (Koa) model: 0.0259 (null) Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7277 E-12 cm3/molecule-sec Half-Life = 0.451 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.409 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.135 (Junge-Pankow, Mackay avg) 0.0259 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation(null) Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 10 L/kg (MCI method) Log Koc: 1.000 (MCI method) Koc : 2.854 L/kg (Kow method) Log Koc: 0.455 (Kow method)(null) Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!(null) Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt) Log Biotransformation Half-life (HL) = -1.5671 days (HL = 0.0271 days) Log BCF Arnot-Gobas method (upper trophic) = -0.045 (BCF = 0.9016) Log BAF Arnot-Gobas method (upper trophic) = -0.045 (BAF = 0.9016) log Kow used: -0.81 (estimated)(null) Volatilization from Water: Henry LC: 2.8E-012 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.117E+008 hours (1.299E+007 days) Half-Life from Model Lake : 3.401E+009 hours (1.417E+008 days)(null) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S)(null) Level III Fugacity Model: Mass Amount Half-Life Emissions

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Output.txt (percent) (hr) (kg/hr) Air 3.32e-005 10.8 1000 Water 35 900 1000 Soil 64.9 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.15e+003 hr(null)(null)(null)========================(null)031717-87-0 NO CAS Match in SMILECAS(null)CAS Num: 033629-47-9SMILES : N(=O)(=O)c(c(NC(CC)C)c(N(=O)(=O))cc1C(C)(C)C)c1CHEM : Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-MOL FOR: C14 H21 N3 O4 MOL WT : 295.34------------------------------ EPI SUMMARY (v3.20) -------------------------- Physical Property Inputs: Water Solubility (mg/L): ------ Vapor Pressure (mm Hg) : ------ Henry LC (atm-m3/mole) : ------ Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------(null) Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 5.15 Log Kow (Exper. database match) = 4.93 Exper. Ref: TOMLIN,C (1997)(null) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43): Boiling Pt (deg C): 393.79 (Adapted Stein & Brown method) Melting Pt (deg C): 148.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.56E-006 (Modified Grain method) VP (Pa, 25 deg C) : 0.000741 (Modified Grain method) MP (exp database): 60 deg C BP (exp database): 135 @ 0.5 mm Hg deg C VP (exp database): 1.27E-05 mm Hg (1.69E-003 Pa) at 25 deg C Subcooled liquid VP: 2.82E-005 mm Hg (25 deg C, exp database VP ) : 0.00376 Pa (25 deg C, exp database VP )(null) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 0.8054 log Kow used: 4.93 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1 mg/L (25 deg C) Exper. Ref: SHIU,WY ET AL. (1990)(null) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.56495 mg/L(null) ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Polynitrobenzenes(null) Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 2.32E-006 atm-m3/mole (2.35E-001 Pa-m3/mole) Group Method: Incomplete Exper Database: 4.94E-06 atm-m3/mole (5.01E-001 Pa-m3/mole) For H