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2-Chloro-N-(5-chloro-2-pyridinyl)propanamide
CC(C(=O)Nc1ccc(cn1)Cl)Cl
InChI=1S/C8H8Cl2N2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-5H,1H3,(H,11,12,13)
CNAAXGGFJZFRBZ-UHFFFAOYSA-N
CSID:3080248, http://www.chemspider.com/Chemical-Structure.3080248.html (accessed 11:44, Apr 29, 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) = 2.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.43 (Adapted Stein & Brown method) Melting Pt (deg C): 132.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.64E-006 (Modified Grain method) Subcooled liquid VP: 7.88E-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): 544.6 log Kow used: 2.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21898 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.514E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.11 (KowWin est) Log Kaw used: -9.941 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.051 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4050 Biowin2 (Non-Linear Model) : 0.0513 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0669 (months ) Biowin4 (Primary Survey Model) : 3.4524 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1352 Biowin6 (MITI Non-Linear Model): 0.0189 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0394 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): 0.0105 Pa (7.88E-005 mm Hg) Log Koa (Koawin est ): 12.051 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000286 Octanol/air (Koa) model: 0.276 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0102 Mackay model : 0.0223 Octanol/air (Koa) model: 0.957 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.6624 E-12 cm3/molecule-sec Half-Life = 6.434 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 77.208 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 188.2 Log Koc: 2.275 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 = 0.928 (BCF = 8.474) log Kow used: 2.11 (estimated) Volatilization from Water: Henry LC: 2.8E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.095E+008 hours (1.29E+007 days) Half-Life from Model Lake : 3.376E+009 hours (1.407E+008 days) Removal In Wastewater Treatment: Total removal: 2.36 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.26 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 1.93e-005 154 1000 Water 20.9 1.44e+003 1000 Soil 79 2.88e+003 1000 Sediment 0.0949 1.3e+004 0 Persistence Time: 2e+003 hr
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