Try beta.chemspider
2,4-Dichloro-1-fluorobenzene
c1cc(c(cc1Cl)Cl)F
InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
BDJZCCWUSOZUQG-UHFFFAOYSA-N
CSID:109728, http://www.chemspider.com/Chemical-Structure.109728.html (accessed 01:04, Jul 5, 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) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 169.82 (Adapted Stein & Brown method) Melting Pt (deg C): -9.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.58 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 68.92 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 101.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.45E-003 atm-m3/mole Group Method: 1.09E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.977E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: -0.851 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.331 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5058 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0144 (months ) Biowin4 (Primary Survey Model) : 3.2925 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2757 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2548 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): 191 Pa (1.43 mm Hg) Log Koa (Koawin est ): 4.331 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57E-008 Octanol/air (Koa) model: 5.26E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.68E-007 Mackay model : 1.26E-006 Octanol/air (Koa) model: 4.21E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.3257 E-12 cm3/molecule-sec Half-Life = 32.841 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.14E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 717.6 Log Koc: 2.856 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 = 1.981 (BCF = 95.82) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 0.0109 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.38 hours Half-Life from Model Lake : 122.8 hours (5.115 days) Removal In Wastewater Treatment: Total removal: 82.14 percent Total biodegradation: 0.06 percent Total sludge adsorption: 7.78 percent Total to Air: 74.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 21 788 1000 Water 23.6 1.44e+003 1000 Soil 53.5 2.88e+003 1000 Sediment 1.93 1.3e+004 0 Persistence Time: 362 hr
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