Try beta.chemspider
N'-[(3,4-Dichlorobenzoyl)oxy]-3-[(2-pyridinylsulfonyl)methyl]benzenecarboximidamide
c1ccnc(c1)S(=O)(=O)Cc2cccc(c2)C(=NOC(=O)c3ccc(c(c3)Cl)Cl)N
InChI=1S/C20H15Cl2N3O4S/c21-16-8-7-15(11-17(16)22)20(26)29-25-19(23)14-5-3-4-13(10-14)12-30(27,28)18-6-1-2-9-24-18/h1-11H,12H2,(H2,23,25)
QIMPGXOEFKHHFW-UHFFFAOYSA-N
CSID:2097616, http://www.chemspider.com/Chemical-Structure.2097616.html (accessed 15:15, Jun 16, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 585.21 (Adapted Stein & Brown method) Melting Pt (deg C): 252.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.99E-013 (Modified Grain method) Subcooled liquid VP: 1.79E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 15.53 log Kow used: 2.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 207.26 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.48E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.357E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.21 (KowWin est) Log Kaw used: -13.994 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.204 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0071 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5457 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8284 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6557 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3845 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.39E-008 Pa (1.79E-010 mm Hg) Log Koa (Koawin est ): 16.204 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 126 Octanol/air (Koa) model: 3.93E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.4037 E-12 cm3/molecule-sec Half-Life = 0.271 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.257 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.697E+005 Log Koc: 5.886 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.926E+000 L/mol-sec Kb Half-Life at pH 8: 2.043 days Kb Half-Life at pH 7: 20.431 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.005 (BCF = 10.12) log Kow used: 2.21 (estimated) Volatilization from Water: Henry LC: 2.48E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.087E+012 hours (2.12E+011 days) Half-Life from Model Lake : 5.55E+013 hours (2.312E+012 days) Removal In Wastewater Treatment: Total removal: 2.49 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.39 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.86e-006 6.51 1000 Water 18 4.32e+003 1000 Soil 81.9 8.64e+003 1000 Sediment 0.0976 3.89e+004 0 Persistence Time: 3.64e+003 hr
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