2,3,6,7-Tetrachlorobiphenylene
c1c-2c(cc(c1Cl)Cl)-c3c2cc(c(c3)Cl)Cl
InChI=1S/C12H4Cl4/c13-9-1-5-6(2-10(9)14)8-4-12(16)11(15)3-7(5)8/h1-4H
WOCSOSVVVSBRCE-UHFFFAOYSA-N
CSID:73567, http://www.chemspider.com/Chemical-Structure.73567.html (accessed 08:29, Mar 29, 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) = 6.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.40 (Adapted Stein & Brown method) Melting Pt (deg C): 121.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.59E-005 (Modified Grain method) Subcooled liquid VP: 0.000235 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.06765 log Kow used: 6.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.034948 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.461E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.23 (KowWin est) Log Kaw used: -2.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.515 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0219 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7988 (months ) Biowin4 (Primary Survey Model) : 2.8975 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1072 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3357 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): 0.0313 Pa (0.000235 mm Hg) Log Koa (Koawin est ): 8.515 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.57E-005 Octanol/air (Koa) model: 8.04E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00345 Mackay model : 0.0076 Octanol/air (Koa) model: 0.00639 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.2200 E-12 cm3/molecule-sec Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.777 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.298764 E-17 cm3/molecule-sec Half-Life = 0.499 Days (at 7E11 mol/cm3) Half-Life = 11.965 Hrs Fraction sorbed to airborne particulates (phi): 0.00552 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.21E+004 Log Koc: 4.344 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 = 4.094 (BCF = 1.242e+004) log Kow used: 6.23 (estimated) Volatilization from Water: Henry LC: 0.000127 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.588 hours Half-Life from Model Lake : 247.4 hours (10.31 days) Removal In Wastewater Treatment: Total removal: 92.93 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.09 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0371 2.74 1000 Water 2.32 1.44e+003 1000 Soil 36.7 2.88e+003 1000 Sediment 60.9 1.3e+004 0 Persistence Time: 3.77e+003 hr
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