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N~2~-[4-(Difluoromethoxy)benzyl]-N~2~-methyl-N-(4-methylphenyl)glycinamide
Cc1ccc(cc1)NC(=O)CN(C)Cc2ccc(cc2)OC(F)F
InChI=1S/C18H20F2N2O2/c1-13-3-7-15(8-4-13)21-17(23)12-22(2)11-14-5-9-16(10-6-14)24-18(19)20/h3-10,18H,11-12H2,1-2H3,(H,21,23)
NEISLJLOUHNBCZ-UHFFFAOYSA-N
CSID:3978889, http://www.chemspider.com/Chemical-Structure.3978889.html (accessed 01:15, Jul 8, 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) = 3.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 455.11 (Adapted Stein & Brown method) Melting Pt (deg C): 191.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.56E-009 (Modified Grain method) Subcooled liquid VP: 3.67E-007 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): 9.609 log Kow used: 3.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.322 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.004E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.40 (KowWin est) Log Kaw used: -10.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.685 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7798 Biowin2 (Non-Linear Model) : 0.8256 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0183 (months ) Biowin4 (Primary Survey Model) : 3.2913 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0398 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9906 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): 4.89E-005 Pa (3.67E-007 mm Hg) Log Koa (Koawin est ): 13.685 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0613 Octanol/air (Koa) model: 11.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.689 Mackay model : 0.831 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.1258 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.208 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.76 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.233E+004 Log Koc: 4.091 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 = 1.918 (BCF = 82.75) log Kow used: 3.40 (estimated) Volatilization from Water: Henry LC: 1.27E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.43E+008 hours (3.512E+007 days) Half-Life from Model Lake : 9.196E+009 hours (3.832E+008 days) Removal In Wastewater Treatment: Total removal: 10.95 percent Total biodegradation: 0.17 percent Total sludge adsorption: 10.78 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 2.52e-005 4.42 1000 Water 9.4 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.629 1.3e+004 0 Persistence Time: 2.81e+003 hr
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