Try beta.chemspider
1,2,3,4,5,7-Hexachloronaphthalene
c1c(cc(c2c1c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C10H2Cl6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2H
SWRNUKWDDYPZGV-UHFFFAOYSA-N
CSID:97224, http://www.chemspider.com/Chemical-Structure.97224.html (accessed 00:39, Apr 25, 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) = 7.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 369.56 (Adapted Stein & Brown method) Melting Pt (deg C): 137.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.33E-006 (Modified Grain method) Subcooled liquid VP: 4.51E-005 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): 0.007489 log Kow used: 7.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0071758 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.71E-005 atm-m3/mole Group Method: 1.41E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.959E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.04 (KowWin est) Log Kaw used: -2.448 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.488 Log Koa (experimental database): 9.800 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5064 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2196 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3726 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2306 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7684 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): 0.00601 Pa (4.51E-005 mm Hg) Log Koa (Exp database): 9.800 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000499 Octanol/air (Koa) model: 0.00155 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0177 Mackay model : 0.0384 Octanol/air (Koa) model: 0.11 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1872 E-12 cm3/molecule-sec Half-Life = 57.151 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.028 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.753E+004 Log Koc: 4.574 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 = 5.381 (BCF = 2.403e+005) log Kow used: 7.04 (estimated) Volatilization from Water: Henry LC: 0.000141 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.466 hours Half-Life from Model Lake : 256.7 hours (10.7 days) Removal In Wastewater Treatment: Total removal: 93.86 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.281 1.37e+003 1000 Water 0.824 4.32e+003 1000 Soil 41 8.64e+003 1000 Sediment 57.9 3.89e+004 0 Persistence Time: 1.07e+004 hr
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