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N-(2-Cyanophenyl)-2-(2,4-dichlorophenoxy)propanamide
CC(C(=O)Nc1ccccc1C#N)Oc2ccc(cc2Cl)Cl
InChI=1S/C16H12Cl2N2O2/c1-10(22-15-7-6-12(17)8-13(15)18)16(21)20-14-5-3-2-4-11(14)9-19/h2-8,10H,1H3,(H,20,21)
ODFAWACEDNDXSE-UHFFFAOYSA-N
CSID:2173075, http://www.chemspider.com/Chemical-Structure.2173075.html (accessed 20:15, Apr 26, 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) = 4.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 490.93 (Adapted Stein & Brown method) Melting Pt (deg C): 208.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.28E-010 (Modified Grain method) Subcooled liquid VP: 4.65E-008 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): 1.384 log Kow used: 4.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.63543 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.33E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.683E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.07 (KowWin est) Log Kaw used: -10.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.335 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8722 Biowin2 (Non-Linear Model) : 0.9782 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8505 (months ) Biowin4 (Primary Survey Model) : 3.2508 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1281 Biowin6 (MITI Non-Linear Model): 0.0123 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2718 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): 6.2E-006 Pa (4.65E-008 mm Hg) Log Koa (Koawin est ): 14.335 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.484 Octanol/air (Koa) model: 53.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.946 Mackay model : 0.975 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.4315 E-12 cm3/molecule-sec Half-Life = 0.796 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.556 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.96 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1806 Log Koc: 3.257 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.433 (BCF = 271.1) log Kow used: 4.07 (estimated) Volatilization from Water: Henry LC: 1.33E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.059E+008 hours (3.358E+007 days) Half-Life from Model Lake : 8.792E+009 hours (3.663E+008 days) Removal In Wastewater Treatment: Total removal: 33.36 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.01 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 0.000168 19.1 1000 Water 8.4 1.44e+003 1000 Soil 88.6 2.88e+003 1000 Sediment 2.99 1.3e+004 0 Persistence Time: 2.94e+003 hr
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