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c1c[c]c(c([c]1)C(F)(F)F)F
InChI=1S/C7H2F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-2H
NIOZNZBGEVRIGF-UHFFFAOYSA-N
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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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 103.76 (Adapted Stein & Brown method) Melting Pt (deg C): -56.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.9 (Mean VP of Antoine & Grain methods) BP (exp database): 114.5 deg C VP (exp database): 3.84E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 132.1 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45.519 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.46E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.253E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: 0.349 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.811 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6610 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9166 (months ) Biowin4 (Primary Survey Model) : 3.3500 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3263 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4544 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): 5.12E+003 Pa (38.4 mm Hg) Log Koa (Koawin est ): 2.811 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.86E-010 Octanol/air (Koa) model: 1.59E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.12E-008 Mackay model : 4.69E-008 Octanol/air (Koa) model: 1.27E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4909 E-12 cm3/molecule-sec Half-Life = 21.787 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1952 Log Koc: 3.291 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 = 1.730 (BCF = 53.76) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 0.0546 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.321 hours Half-Life from Model Lake : 121.8 hours (5.076 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.59 percent Total biodegradation: 0.03 percent Total sludge adsorption: 3.64 percent Total to Air: 91.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 41.3 523 1000 Water 45.2 1.44e+003 1000 Soil 11.9 2.88e+003 1000 Sediment 1.66 1.3e+004 0 Persistence Time: 186 hr
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