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N-(3,4-Dichlorophenyl)-4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
Cc1cc(c(c(=O)n1CCOC)C(=O)Nc2ccc(c(c2)Cl)Cl)O
InChI=1S/C16H16Cl2N2O4/c1-9-7-13(21)14(16(23)20(9)5-6-24-2)15(22)19-10-3-4-11(17)12(18)8-10/h3-4,7-8,21H,5-6H2,1-2H3,(H,19,22)
HTPBWXXXYPZMRK-UHFFFAOYSA-N
CSID:12029063, http://www.chemspider.com/Chemical-Structure.12029063.html (accessed 07:22, May 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) = 1.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 580.33 (Adapted Stein & Brown method) Melting Pt (deg C): 250.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.17E-015 (Modified Grain method) Subcooled liquid VP: 6.1E-013 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): 103.5 log Kow used: 1.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1173.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.08E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.024E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.93 (KowWin est) Log Kaw used: -15.481 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.411 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4376 Biowin2 (Non-Linear Model) : 0.0383 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0085 (months ) Biowin4 (Primary Survey Model) : 3.5120 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1665 Biowin6 (MITI Non-Linear Model): 0.0092 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6957 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): 8.13E-011 Pa (6.1E-013 mm Hg) Log Koa (Koawin est ): 17.411 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.69E+004 Octanol/air (Koa) model: 6.32E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.2253 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.938 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 63.180000 E-17 cm3/molecule-sec Half-Life = 0.018 Days (at 7E11 mol/cm3) Half-Life = 26.120 Min Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.786 (BCF = 6.112) log Kow used: 1.93 (estimated) Volatilization from Water: Henry LC: 8.08E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.396E+014 hours (5.817E+012 days) Half-Life from Model Lake : 1.523E+015 hours (6.346E+013 days) Removal In Wastewater Treatment: Total removal: 2.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.09 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 0.000147 0.391 1000 Water 24.8 1.44e+003 1000 Soil 75.2 2.88e+003 1000 Sediment 0.0902 1.3e+004 0 Persistence Time: 1.82e+003 hr
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