Try beta.chemspider
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(4'-methyl-4-biphenylyl)oxy]acetamide
Cc1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc4c(c3)OCCO4
InChI=1S/C23H21NO4/c1-16-2-4-17(5-3-16)18-6-9-20(10-7-18)28-15-23(25)24-19-8-11-21-22(14-19)27-13-12-26-21/h2-11,14H,12-13,15H2,1H3,(H,24,25)
CYGZUHWMZPMNHL-UHFFFAOYSA-N
CSID:848194, http://www.chemspider.com/Chemical-Structure.848194.html (accessed 05:28, May 9, 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) = 5.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 571.05 (Adapted Stein & Brown method) Melting Pt (deg C): 245.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-012 (Modified Grain method) Subcooled liquid VP: 4.17E-010 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): 0.1606 log Kow used: 5.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.028562 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.47E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.167E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.19 (KowWin est) Log Kaw used: -11.996 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.186 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2294 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0661 (months ) Biowin4 (Primary Survey Model) : 3.6743 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5283 Biowin6 (MITI Non-Linear Model): 0.2835 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8333 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): 5.56E-008 Pa (4.17E-010 mm Hg) Log Koa (Koawin est ): 17.186 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 54 Octanol/air (Koa) model: 3.77E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 156.3909 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.821 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 : 1.041E+005 Log Koc: 5.017 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 = 3.296 (BCF = 1976) log Kow used: 5.19 (estimated) Volatilization from Water: Henry LC: 2.47E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.593E+010 hours (1.914E+009 days) Half-Life from Model Lake : 5.01E+011 hours (2.088E+010 days) Removal In Wastewater Treatment: Total removal: 82.88 percent Total biodegradation: 0.71 percent Total sludge adsorption: 82.17 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 0.000311 1.64 1000 Water 5.4 1.44e+003 1000 Soil 69.8 2.88e+003 1000 Sediment 24.8 1.3e+004 0 Persistence Time: 3.74e+003 hr
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