(2,3-Diphenyl-2-oxiranyl)(phenyl)methanone
c1ccc(cc1)C2C(O2)(c3ccccc3)C(=O)c4ccccc4
InChI=1S/C21H16O2/c22-19(16-10-4-1-5-11-16)21(18-14-8-3-9-15-18)20(23-21)17-12-6-2-7-13-17/h1-15,20H
WLBCXDDYEIKDGB-UHFFFAOYSA-N
CSID:199248, http://www.chemspider.com/Chemical-Structure.199248.html (accessed 11:27, Mar 28, 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) = 5.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 419.51 (Adapted Stein & Brown method) Melting Pt (deg C): 160.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-007 (Modified Grain method) Subcooled liquid VP: 2.78E-006 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): 0.6226 log Kow used: 5.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7304 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.39E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.236E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.03 (KowWin est) Log Kaw used: -7.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.550 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4644 Biowin2 (Non-Linear Model) : 0.1877 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3582 (weeks-months) Biowin4 (Primary Survey Model) : 3.2437 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1189 Biowin6 (MITI Non-Linear Model): 0.0495 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8911 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): 0.000371 Pa (2.78E-006 mm Hg) Log Koa (Koawin est ): 12.550 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00809 Octanol/air (Koa) model: 0.871 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.226 Mackay model : 0.393 Octanol/air (Koa) model: 0.986 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.6222 E-12 cm3/molecule-sec Half-Life = 0.920 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.044 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.31 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.353E+004 Log Koc: 4.131 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.509E-003 L/mol-sec [cis-isomer] Total Ka (acid-catalyzed) at 25 deg C : 3.537E-004 L/mol-sec [trans-isomer] Ka Half-Life at pH 7: 145.577 years [cis-isomer] Ka Half-Life at pH 7: 621.000 years [trans-isomer] Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.331 (BCF = 214.1) log Kow used: 5.03 (estimated) Volatilization from Water: Henry LC: 7.39E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.373E+006 hours (5.721E+004 days) Half-Life from Model Lake : 1.498E+007 hours (6.241E+005 days) Removal In Wastewater Treatment: Total removal: 78.63 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.95 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 0.00597 22.1 1000 Water 8.03 900 1000 Soil 72.4 1.8e+003 1000 Sediment 19.6 8.1e+003 0 Persistence Time: 2.25e+003 hr
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