Try beta.chemspider
N-(3,4-Dichlorophenyl)-2-methyl-3-furamide
Cc1c(cco1)C(=O)Nc2ccc(c(c2)Cl)Cl
InChI=1S/C12H9Cl2NO2/c1-7-9(4-5-17-7)12(16)15-8-2-3-10(13)11(14)6-8/h2-6H,1H3,(H,15,16)
AVGTUKXCZVOWFD-UHFFFAOYSA-N
CSID:737789, http://www.chemspider.com/Chemical-Structure.737789.html (accessed 06:53, May 10, 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) = 3.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 407.33 (Adapted Stein & Brown method) Melting Pt (deg C): 168.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.83E-007 (Modified Grain method) Subcooled liquid VP: 5.51E-006 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): 8.423 log Kow used: 3.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.1094 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.39E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.722E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.91 (KowWin est) Log Kaw used: -7.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.430 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5189 Biowin2 (Non-Linear Model) : 0.1694 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0600 (months ) Biowin4 (Primary Survey Model) : 3.2642 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1301 Biowin6 (MITI Non-Linear Model): 0.0195 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3853 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): 0.000735 Pa (5.51E-006 mm Hg) Log Koa (Koawin est ): 11.430 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00408 Octanol/air (Koa) model: 0.0661 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.129 Mackay model : 0.246 Octanol/air (Koa) model: 0.841 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.9442 E-12 cm3/molecule-sec Half-Life = 0.223 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.677 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.187 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 871.5 Log Koc: 2.940 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 = 2.308 (BCF = 203) log Kow used: 3.91 (estimated) Volatilization from Water: Henry LC: 7.39E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.302E+006 hours (5.425E+004 days) Half-Life from Model Lake : 1.42E+007 hours (5.919E+005 days) Removal In Wastewater Treatment: Total removal: 26.13 percent Total biodegradation: 0.29 percent Total sludge adsorption: 25.84 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 0.00399 5.35 1000 Water 8.74 1.44e+003 1000 Soil 89.2 2.88e+003 1000 Sediment 2.1 1.3e+004 0 Persistence Time: 2.85e+003 hr
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