1-(3-Cyclopenten-1-yl)-3-fluorobenzene
Fc1cccc(c1)C2C/C=C\C2 CopyCopied
InChI=1S/C11H11F/c12-11-7-3-6-10(8-11)9-4-1-2-5-9/h1-3,6-9H,4-5H2 CopyCopied
SWDZRLCCPTWFMV-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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.55 (Adapted Stein & Brown method) Melting Pt (deg C): 1.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.165 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 14.11 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.171 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.36E-003 atm-m3/mole Group Method: 2.08E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.496E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -0.466 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.766 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0850 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3589 (weeks-months) Biowin4 (Primary Survey Model) : 3.5586 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3219 Biowin6 (MITI Non-Linear Model): 0.0076 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0141 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): 20.4 Pa (0.153 mm Hg) Log Koa (Koawin est ): 4.766 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.47E-007 Octanol/air (Koa) model: 1.43E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.31E-006 Mackay model : 1.18E-005 Octanol/air (Koa) model: 1.15E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.5435 E-12 cm3/molecule-sec Half-Life = 0.163 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.958 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 8.54E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5489 Log Koc: 3.739 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 = 2.614 (BCF = 411.4) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 0.00208 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.658 hours Half-Life from Model Lake : 124.9 hours (5.203 days) Removal In Wastewater Treatment: Total removal: 65.41 percent Total biodegradation: 0.31 percent Total sludge adsorption: 38.00 percent Total to Air: 27.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0886 1.02 1000 Water 9.24 900 1000 Soil 86.3 1.8e+003 1000 Sediment 4.38 8.1e+003 0 Persistence Time: 899 hr
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