1-(4-Fluorophenyl)bicyclo[1.1.1]pentane
Fc1ccc(cc1)C23CC(C2)C3 CopyCopied
InChI=1S/C11H11F/c12-10-3-1-9(2-4-10)11-5-8(6-11)7-11/h1-4,8H,5-7H2 CopyCopied
MHODNSOEEVPBPS-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 200.62 (Adapted Stein & Brown method) Melting Pt (deg C): 23.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.35 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 28.11 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.034 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.19E-003 atm-m3/mole Group Method: 7.39E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.657E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: -0.766 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.716 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3236 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2217 (months ) Biowin4 (Primary Survey Model) : 3.4737 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4191 Biowin6 (MITI Non-Linear Model): 0.0091 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2005 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): 42.7 Pa (0.32 mm Hg) Log Koa (Koawin est ): 4.716 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.03E-008 Octanol/air (Koa) model: 1.28E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.54E-006 Mackay model : 5.62E-006 Octanol/air (Koa) model: 1.02E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3417 E-12 cm3/molecule-sec Half-Life = 3.201 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.409 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.08E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5002 Log Koc: 3.699 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 = 2.344 (BCF = 220.9) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.000739 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.309 hours Half-Life from Model Lake : 132 hours (5.499 days) Removal In Wastewater Treatment: Total removal: 42.90 percent Total biodegradation: 0.25 percent Total sludge adsorption: 24.99 percent Total to Air: 17.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.17 76.8 1000 Water 7.45 1.44e+003 1000 Soil 88.4 2.88e+003 1000 Sediment 1.98 1.3e+004 0 Persistence Time: 1.36e+003 hr
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