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{3-[(Benzyloxy)methyl]-2-oxiranyl}methanol
c1ccc(cc1)COCC2C(O2)CO
InChI=1S/C11H14O3/c12-6-10-11(14-10)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
KSQBAPLQXNCSOC-UHFFFAOYSA-N
CSID:3156281, http://www.chemspider.com/Chemical-Structure.3156281.html (accessed 07:40, Apr 23, 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) = 1.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.97 (Adapted Stein & Brown method) Melting Pt (deg C): 78.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.18E-005 (Modified Grain method) Subcooled liquid VP: 7.1E-005 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): 1.683e+004 log Kow used: 1.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5203e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.32E-012 atm-m3/mole Group Method: 6.74E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.310E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.12 (KowWin est) Log Kaw used: -9.524 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.644 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2472 Biowin2 (Non-Linear Model) : 0.0243 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9346 (weeks ) Biowin4 (Primary Survey Model) : 3.6824 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4075 Biowin6 (MITI Non-Linear Model): 0.2287 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3189 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): 0.00947 Pa (7.1E-005 mm Hg) Log Koa (Koawin est ): 10.644 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000317 Octanol/air (Koa) model: 0.0108 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0113 Mackay model : 0.0247 Octanol/air (Koa) model: 0.464 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.4273 E-12 cm3/molecule-sec Half-Life = 0.477 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.723 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.018 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 5.092E-004 L/mol-sec Ka Half-Life at pH 7: 431.352 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = -0.490 (BCF = 0.3238) log Kow used: 1.12 (estimated) Volatilization from Water: Henry LC: 7.32E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.115E+008 hours (4.645E+006 days) Half-Life from Model Lake : 1.216E+009 hours (5.067E+007 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 0.000164 11.4 1000 Water 33.5 360 1000 Soil 66.4 720 1000 Sediment 0.069 3.24e+003 0 Persistence Time: 617 hr
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