Try beta.chemspider
2-[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide
Cc1cccc(c1NC(=O)COc2ccc3c(c(c(=O)oc3c2C)Cc4ccccc4)C)C
InChI=1S/C28H27NO4/c1-17-9-8-10-18(2)26(17)29-25(30)16-32-24-14-13-22-19(3)23(15-21-11-6-5-7-12-21)28(31)33-27(22)20(24)4/h5-14H,15-16H2,1-4H3,(H,29,30)
FWJBOQGCDAALIV-UHFFFAOYSA-N
CSID:1639993, http://www.chemspider.com/Chemical-Structure.1639993.html (accessed 22:35, Jun 15, 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) = 5.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 653.95 (Adapted Stein & Brown method) Melting Pt (deg C): 284.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.76E-015 (Modified Grain method) Subcooled liquid VP: 2.81E-012 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): 0.0243 log Kow used: 5.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00085817 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.50E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.989E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.67 (KowWin est) Log Kaw used: -11.576 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.246 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4004 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9739 (months ) Biowin4 (Primary Survey Model) : 3.4530 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2649 Biowin6 (MITI Non-Linear Model): 0.0423 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4087 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): 3.75E-010 Pa (2.81E-012 mm Hg) Log Koa (Koawin est ): 17.246 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.01E+003 Octanol/air (Koa) model: 4.33E+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 = 93.3147 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.375 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min 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 : 3.227E+005 Log Koc: 5.509 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 = 3.665 (BCF = 4623) log Kow used: 5.67 (estimated) Volatilization from Water: Henry LC: 6.5E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.893E+010 hours (7.886E+008 days) Half-Life from Model Lake : 2.065E+011 hours (8.603E+009 days) Removal In Wastewater Treatment: Total removal: 90.08 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.33 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 0.00398 0.279 1000 Water 4.41 1.44e+003 1000 Soil 44 2.88e+003 1000 Sediment 51.6 1.3e+004 0 Persistence Time: 3.24e+003 hr
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