N-Cyclohexyl-2-(2,4,6-trichlorophenoxy)acetamide
O=C(NC1CCCCC1)COc2c(Cl)cc(Cl)cc2Cl
InChI=1S/C14H16Cl3NO2/c15-9-6-11(16)14(12(17)7-9)20-8-13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,18,19)
BSOCKKVJLXXHLL-UHFFFAOYSA-N
CSID:6201749, http://www.chemspider.com/Chemical-Structure.6201749.html (accessed 02:06, Apr 20, 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) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.87 (Adapted Stein & Brown method) Melting Pt (deg C): 188.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-008 (Modified Grain method) Subcooled liquid VP: 5.24E-007 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): 0.2518 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.1248 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.56E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.777E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -7.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.883 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3821 Biowin2 (Non-Linear Model) : 0.0532 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7231 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1486 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2279 Biowin6 (MITI Non-Linear Model): 0.0195 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4861 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): 6.99E-005 Pa (5.24E-007 mm Hg) Log Koa (Koawin est ): 12.883 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0429 Octanol/air (Koa) model: 1.87 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.608 Mackay model : 0.775 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.4590 E-12 cm3/molecule-sec Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.357 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.691 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2689 Log Koc: 3.430 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 = 3.331 (BCF = 2145) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 5.56E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.932E+006 hours (8.05E+004 days) Half-Life from Model Lake : 2.108E+007 hours (8.782E+005 days) Removal In Wastewater Treatment: Total removal: 83.98 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.26 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 0.00222 8.71 1000 Water 2.51 4.32e+003 1000 Soil 77 8.64e+003 1000 Sediment 20.5 3.89e+004 0 Persistence Time: 9.94e+003 hr
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