2-Chloro-6-fluorophenol
c1cc(c(c(c1)Cl)O)F
InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
QIAQIYQASAWZPP-UHFFFAOYSA-N
CSID:2054122, http://www.chemspider.com/Chemical-Structure.2054122.html (accessed 01:45, Apr 18, 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) = 2.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 198.48 (Adapted Stein & Brown method) Melting Pt (deg C): 23.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.205 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2895 log Kow used: 2.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12607 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.85E-007 atm-m3/mole Group Method: 1.58E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.365E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.36 (KowWin est) Log Kaw used: -4.703 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.063 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1988 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3182 (weeks-months) Biowin4 (Primary Survey Model) : 3.5241 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3886 Biowin6 (MITI Non-Linear Model): 0.0063 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2282 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): 24.8 Pa (0.186 mm Hg) Log Koa (Koawin est ): 7.063 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E-007 Octanol/air (Koa) model: 2.84E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.37E-006 Mackay model : 9.68E-006 Octanol/air (Koa) model: 0.000227 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4244 E-12 cm3/molecule-sec Half-Life = 3.123 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.481 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 7.02E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 732.5 Log Koc: 2.865 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 = 0.715 (BCF = 5.193) log Kow used: 2.36 (estimated) Volatilization from Water: Henry LC: 1.58E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 449.8 hours (18.74 days) Half-Life from Model Lake : 5009 hours (208.7 days) Removal In Wastewater Treatment: Total removal: 2.84 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.65 percent Total to Air: 0.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.71 75 1000 Water 24.1 900 1000 Soil 74 1.8e+003 1000 Sediment 0.155 8.1e+003 0 Persistence Time: 961 hr
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