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N-(2-sec-Butylphenyl)-2-(4-chlorophenyl)acetamide
CCC(C)c1ccccc1NC(=O)Cc2ccc(cc2)Cl
InChI=1S/C18H20ClNO/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)
MOWOTHYQJOBOQL-UHFFFAOYSA-N
CSID:2188116, http://www.chemspider.com/Chemical-Structure.2188116.html (accessed 18:05, May 21, 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) = 4.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.20 (Adapted Stein & Brown method) Melting Pt (deg C): 183.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-008 (Modified Grain method) Subcooled liquid VP: 5.45E-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): 0.8888 log Kow used: 4.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.15191 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.53E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.406E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.84 (KowWin est) Log Kaw used: -7.409 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7409 Biowin2 (Non-Linear Model) : 0.6348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1217 (months ) Biowin4 (Primary Survey Model) : 3.3153 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0024 Biowin6 (MITI Non-Linear Model): 0.0188 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2338 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): 7.27E-005 Pa (5.45E-007 mm Hg) Log Koa (Koawin est ): 12.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0413 Octanol/air (Koa) model: 0.436 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.599 Mackay model : 0.768 Octanol/air (Koa) model: 0.972 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.1829 E-12 cm3/molecule-sec Half-Life = 0.505 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.059 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.683 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.534E+004 Log Koc: 4.404 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 = 3.023 (BCF = 1056) log Kow used: 4.84 (estimated) Volatilization from Water: Henry LC: 9.53E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.067E+006 hours (4.447E+004 days) Half-Life from Model Lake : 1.164E+007 hours (4.852E+005 days) Removal In Wastewater Treatment: Total removal: 72.00 percent Total biodegradation: 0.64 percent Total sludge adsorption: 71.36 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 0.0109 12.1 1000 Water 6.88 1.44e+003 1000 Soil 78.3 2.88e+003 1000 Sediment 14.8 1.3e+004 0 Persistence Time: 3.24e+003 hr
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