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2-[4-(2-Methyl-2-propanyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)C(F)(F)F
InChI=1S/C19H20F3NO2/c1-18(2,3)13-7-9-16(10-8-13)25-12-17(24)23-15-6-4-5-14(11-15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
YVCVSBQRQHLJDS-UHFFFAOYSA-N
CSID:1002267, http://www.chemspider.com/Chemical-Structure.1002267.html (accessed 15:15, May 11, 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) = 5.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.38 (Adapted Stein & Brown method) Melting Pt (deg C): 184.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.83E-008 (Modified Grain method) Subcooled liquid VP: 8.51E-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): 0.08225 log Kow used: 5.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.037556 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.24E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.029E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.70 (KowWin est) Log Kaw used: -6.761 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.461 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2180 Biowin2 (Non-Linear Model) : 0.0117 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5853 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1955 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2248 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8642 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): 0.000113 Pa (8.51E-007 mm Hg) Log Koa (Koawin est ): 12.461 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0264 Octanol/air (Koa) model: 0.71 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.488 Mackay model : 0.679 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4515 E-12 cm3/molecule-sec Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.955 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.584 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.431E+004 Log Koc: 4.535 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 = 3.690 (BCF = 4895) log Kow used: 5.70 (estimated) Volatilization from Water: Henry LC: 4.24E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.588E+005 hours (1.079E+004 days) Half-Life from Model Lake : 2.824E+006 hours (1.177E+005 days) Removal In Wastewater Treatment: Total removal: 90.34 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.58 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 0.00839 7.91 1000 Water 1.74 4.32e+003 1000 Soil 63.7 8.64e+003 1000 Sediment 34.5 3.89e+004 0 Persistence Time: 1.08e+004 hr
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