Try beta.chemspider
4,5,6,7-Tetrachloro-1H-benzimidazole
c1[nH]c2c(n1)c(c(c(c2Cl)Cl)Cl)Cl
InChI=1S/C7H2Cl4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
ILWGGMUSEHTKEQ-UHFFFAOYSA-N
CSID:15224680, http://www.chemspider.com/Chemical-Structure.15224680.html (accessed 12:57, Apr 23, 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) = 3.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.43 (Adapted Stein & Brown method) Melting Pt (deg C): 153.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.5E-007 (Modified Grain method) Subcooled liquid VP: 5.18E-006 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): 12.16 log Kow used: 3.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.258 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.923E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.81 (KowWin est) Log Kaw used: -5.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.153 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1040 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8072 (months ) Biowin4 (Primary Survey Model) : 2.8171 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0163 Biowin6 (MITI Non-Linear Model): 0.0036 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8684 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): 0.000691 Pa (5.18E-006 mm Hg) Log Koa (Koawin est ): 9.153 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00434 Octanol/air (Koa) model: 0.000349 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.136 Mackay model : 0.258 Octanol/air (Koa) model: 0.0272 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5187 E-12 cm3/molecule-sec Half-Life = 7.043 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 84.516 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.197 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 823.6 Log Koc: 2.916 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 = 2.236 (BCF = 172.1) log Kow used: 3.81 (estimated) Volatilization from Water: Henry LC: 1.11E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8440 hours (351.7 days) Half-Life from Model Lake : 9.22E+004 hours (3842 days) Removal In Wastewater Treatment: Total removal: 22.21 percent Total biodegradation: 0.26 percent Total sludge adsorption: 21.94 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.353 169 1000 Water 10 1.44e+003 1000 Soil 87.7 2.88e+003 1000 Sediment 1.88 1.3e+004 0 Persistence Time: 2.43e+003 hr
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