2-Chloro-N-(2-methoxy-5-methylphenyl)acetamide
Cc1ccc(c(c1)NC(=O)CCl)OC
InChI=1S/C10H12ClNO2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
ZVVBFKIUBBHWEV-UHFFFAOYSA-N
CSID:644082, http://www.chemspider.com/Chemical-Structure.644082.html (accessed 18:56, Dec 2, 2023)
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) = 1.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 372.27 (Adapted Stein & Brown method) Melting Pt (deg C): 139.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.72E-006 (Modified Grain method) Subcooled liquid VP: 3.88E-005 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): 1203 log Kow used: 1.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 165.99 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.357E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.74 (KowWin est) Log Kaw used: -8.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.976 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9312 Biowin2 (Non-Linear Model) : 0.9744 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3666 (weeks-months) Biowin4 (Primary Survey Model) : 3.6529 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5154 Biowin6 (MITI Non-Linear Model): 0.2776 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2801 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): 0.00517 Pa (3.88E-005 mm Hg) Log Koa (Koawin est ): 9.976 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00058 Octanol/air (Koa) model: 0.00232 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0205 Mackay model : 0.0443 Octanol/air (Koa) model: 0.157 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.2706 E-12 cm3/molecule-sec Half-Life = 0.365 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.385 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0324 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 86.66 Log Koc: 1.938 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 = 0.643 (BCF = 4.4) log Kow used: 1.74 (estimated) Volatilization from Water: Henry LC: 1.42E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.027E+006 hours (2.511E+005 days) Half-Life from Model Lake : 6.575E+007 hours (2.74E+006 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 0.00153 8.77 1000 Water 28.1 900 1000 Soil 71.8 1.8e+003 1000 Sediment 0.0838 8.1e+003 0 Persistence Time: 1.29e+003 hr
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