2,4-Dichloro-N-{2-[(tetrahydro-2-furanylmethyl)carbamoyl]phenyl}benzamide
c1ccc(c(c1)C(=O)NCC2CCCO2)NC(=O)c3ccc(cc3Cl)Cl
InChI=1S/C19H18Cl2N2O3/c20-12-7-8-14(16(21)10-12)19(25)23-17-6-2-1-5-15(17)18(24)22-11-13-4-3-9-26-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,22,24)(H,23,25)
LMWJEBMAMXNYBI-UHFFFAOYSA-N
CSID:2200677, http://www.chemspider.com/Chemical-Structure.2200677.html (accessed 10:09, Mar 28, 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) = 4.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 600.57 (Adapted Stein & Brown method) Melting Pt (deg C): 259.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-013 (Modified Grain method) Subcooled liquid VP: 7.13E-011 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): 0.6611 log Kow used: 4.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.1676 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.46E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.518E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.34 (KowWin est) Log Kaw used: -13.224 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.564 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2684 Biowin2 (Non-Linear Model) : 0.0094 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7998 (months ) Biowin4 (Primary Survey Model) : 3.3508 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0122 Biowin6 (MITI Non-Linear Model): 0.0032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3241 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): 9.51E-009 Pa (7.13E-011 mm Hg) Log Koa (Koawin est ): 17.564 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 316 Octanol/air (Koa) model: 8.99E+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 = 41.8296 E-12 cm3/molecule-sec Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.068 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 532.8 Log Koc: 2.727 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 = 2.643 (BCF = 439.3) log Kow used: 4.34 (estimated) Volatilization from Water: Henry LC: 1.46E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.953E+011 hours (3.314E+010 days) Half-Life from Model Lake : 8.676E+012 hours (3.615E+011 days) Removal In Wastewater Treatment: Total removal: 47.43 percent Total biodegradation: 0.46 percent Total sludge adsorption: 46.97 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 0.000146 6.14 1000 Water 7.99 1.44e+003 1000 Soil 86.6 2.88e+003 1000 Sediment 5.43 1.3e+004 0 Persistence Time: 3.02e+003 hr
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