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2-Chloro-N-(4-fluorophenyl)acetamide
c1cc(ccc1NC(=O)CCl)F
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
JDAWWCJBFPBHFL-UHFFFAOYSA-N
CSID:463444, http://www.chemspider.com/Chemical-Structure.463444.html (accessed 04:06, Jul 6, 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) = 1.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.91 (Adapted Stein & Brown method) Melting Pt (deg C): 108.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.8E-005 (Modified Grain method) Subcooled liquid VP: 0.000317 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): 1252 log Kow used: 1.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 901.78 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.54E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.464E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.88 (KowWin est) Log Kaw used: -6.984 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.864 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0530 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1503 (months ) Biowin4 (Primary Survey Model) : 3.6954 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3814 Biowin6 (MITI Non-Linear Model): 0.0033 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1022 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): 0.0423 Pa (0.000317 mm Hg) Log Koa (Koawin est ): 8.864 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.1E-005 Octanol/air (Koa) model: 0.000179 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00256 Mackay model : 0.00565 Octanol/air (Koa) model: 0.0142 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.4572 E-12 cm3/molecule-sec Half-Life = 2.400 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.796 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0041 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 119.3 Log Koc: 2.076 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 = 0.748 (BCF = 5.596) log Kow used: 1.88 (estimated) Volatilization from Water: Henry LC: 2.54E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.157E+005 hours (1.315E+004 days) Half-Life from Model Lake : 3.444E+006 hours (1.435E+005 days) Removal In Wastewater Treatment: Total removal: 2.15 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.05 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 0.0193 57.6 1000 Water 25.9 1.44e+003 1000 Soil 74 2.88e+003 1000 Sediment 0.0897 1.3e+004 0 Persistence Time: 1.77e+003 hr
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