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2-[3,5-Bis(trifluoromethyl)phenyl]-N-methyl-N-{2-[methyl(phenyl)amino]phenyl}acetamide
FC(F)(F)c1cc(cc(c1)C(F)(F)F)CC(=O)N(c3ccccc3N(c2ccccc2)C)C
InChI=1S/C24H20F6N2O/c1-31(19-8-4-3-5-9-19)20-10-6-7-11-21(20)32(2)22(33)14-16-12-17(23(25,26)27)15-18(13-16)24(28,29)30/h3-13,15H,14H2,1-2H3
NAKPDOGYACKODZ-UHFFFAOYSA-N
CSID:8001522, http://www.chemspider.com/Chemical-Structure.8001522.html (accessed 20:11, May 21, 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) = 6.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 475.04 (Adapted Stein & Brown method) Melting Pt (deg C): 200.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.62E-009 (Modified Grain method) Subcooled liquid VP: 1.17E-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): 0.003966 log Kow used: 6.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00068487 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.507E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.41 (KowWin est) Log Kaw used: -6.900 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.310 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3277 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.7807 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4798 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4857 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0146 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): 1.56E-005 Pa (1.17E-007 mm Hg) Log Koa (Koawin est ): 13.310 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.192 Octanol/air (Koa) model: 5.01 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.874 Mackay model : 0.939 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.5229 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.634 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.907 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.16E+006 Log Koc: 6.962 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 = 4.233 (BCF = 1.709e+004) log Kow used: 6.41 (estimated) Volatilization from Water: Henry LC: 3.08E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.105E+005 hours (1.711E+004 days) Half-Life from Model Lake : 4.479E+006 hours (1.866E+005 days) Removal In Wastewater Treatment: Total removal: 93.30 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.52 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 0.00489 1.27 1000 Water 1.06 4.32e+003 1000 Soil 45.4 8.64e+003 1000 Sediment 53.6 3.89e+004 0 Persistence Time: 1.04e+004 hr
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