1-Fluoro-3-(trichloro-lambda~4~-tellanyl)benzene
Cl[Te](Cl)(Cl)c1cccc(F)c1
InChI=1S/C6H4Cl3FTe/c7-11(8,9)6-3-1-2-5(10)4-6/h1-4H
BKSWNZYXIAJHQZ-UHFFFAOYSA-N
CSID:9078848, http://www.chemspider.com/Chemical-Structure.9078848.html (accessed 10:17, Dec 6, 2023)
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) = 3.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.85 (Adapted Stein & Brown method) Melting Pt (deg C): 16.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.154 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 17.78 log Kow used: 3.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 421.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.750E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2191 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0651 (months ) Biowin4 (Primary Survey Model) : 3.3864 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2166 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): 19.1 Pa (0.143 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57E-007 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.68E-006 Mackay model : 1.26E-005 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.4424 E-12 cm3/molecule-sec Half-Life = 4.379 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 52.551 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.14E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1912 Log Koc: 3.282 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 = 1.705 (BCF = 50.76) log Kow used: 3.12 (estimated) Volatilization from Water: Henry LC: 0.00375 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.134 hours Half-Life from Model Lake : 175.4 hours (7.308 days) Removal In Wastewater Treatment: Total removal: 61.48 percent Total biodegradation: 0.07 percent Total sludge adsorption: 4.64 percent Total to Air: 56.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 13 105 1000 Water 23.5 1.44e+003 1000 Soil 62.7 2.88e+003 1000 Sediment 0.784 1.3e+004 0 Persistence Time: 377 hr
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