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3-(4-Methoxyphenyl)-3-phenyl-3H-benzo[f]chromene
COc1ccc(cc1)C2(C=Cc3c4ccccc4ccc3O2)c5ccccc5
InChI=1S/C26H20O2/c1-27-22-14-12-21(13-15-22)26(20-8-3-2-4-9-20)18-17-24-23-10-6-5-7-19(23)11-16-25(24)28-26/h2-18H,1H3
QKSWQXUXRQUBIF-UHFFFAOYSA-N
CSID:2379425, http://www.chemspider.com/Chemical-Structure.2379425.html (accessed 08:18, Jul 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) = 7.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 497.34 (Adapted Stein & Brown method) Melting Pt (deg C): 210.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.41E-010 (Modified Grain method) Subcooled liquid VP: 3.21E-008 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): 0.002696 log Kow used: 7.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7721e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.20E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.065E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.35 (KowWin est) Log Kaw used: -6.883 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.233 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7820 Biowin2 (Non-Linear Model) : 0.9173 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0874 (months ) Biowin4 (Primary Survey Model) : 3.3276 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2220 Biowin6 (MITI Non-Linear Model): 0.0443 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5820 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): 4.28E-006 Pa (3.21E-008 mm Hg) Log Koa (Koawin est ): 14.233 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.701 Octanol/air (Koa) model: 42 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.962 Mackay model : 0.982 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.0456 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.855 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.972 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.723E+006 Log Koc: 6.674 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 = 4.336 (BCF = 2.166e+004) log Kow used: 7.35 (estimated) Volatilization from Water: Henry LC: 3.2E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.493E+005 hours (1.455E+004 days) Half-Life from Model Lake : 3.811E+006 hours (1.588E+005 days) Removal In Wastewater Treatment: Total removal: 93.95 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.17 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 0.0135 1.51 1000 Water 1.45 1.44e+003 1000 Soil 31.5 2.88e+003 1000 Sediment 67 1.3e+004 0 Persistence Time: 4.76e+003 hr
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