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N-(4-Chloro-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
Cc1cc(ccc1OC(C)C(=O)Nc2cc(c(cc2OC)Cl)OC)Cl
InChI=1S/C18H19Cl2NO4/c1-10-7-12(19)5-6-15(10)25-11(2)18(22)21-14-9-16(23-3)13(20)8-17(14)24-4/h5-9,11H,1-4H3,(H,21,22)
GGMVOTQJBUXCGV-UHFFFAOYSA-N
CSID:3040389, http://www.chemspider.com/Chemical-Structure.3040389.html (accessed 00:35, May 10, 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) = 4.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 503.05 (Adapted Stein & Brown method) Melting Pt (deg C): 214.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.24E-010 (Modified Grain method) Subcooled liquid VP: 2.3E-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): 0.3853 log Kow used: 4.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16286 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.32E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.939E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.68 (KowWin est) Log Kaw used: -10.663 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.343 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8603 Biowin2 (Non-Linear Model) : 0.9717 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6334 (recalcitrant) Biowin4 (Primary Survey Model) : 3.3309 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3267 Biowin6 (MITI Non-Linear Model): 0.0361 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2558 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): 3.07E-006 Pa (2.3E-008 mm Hg) Log Koa (Koawin est ): 15.343 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.978 Octanol/air (Koa) model: 541 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.972 Mackay model : 0.987 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.4821 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.400 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.98 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.121E+004 Log Koc: 4.050 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 = 2.904 (BCF = 802.1) log Kow used: 4.68 (estimated) Volatilization from Water: Henry LC: 5.32E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.157E+009 hours (8.989E+007 days) Half-Life from Model Lake : 2.353E+010 hours (9.806E+008 days) Removal In Wastewater Treatment: Total removal: 65.05 percent Total biodegradation: 0.59 percent Total sludge adsorption: 64.46 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 4.54e-005 4.8 1000 Water 3.37 4.32e+003 1000 Soil 88.7 8.64e+003 1000 Sediment 7.89 3.89e+004 0 Persistence Time: 8.82e+003 hr
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