Octachloronaphthalene
c12c(c(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl
InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
RTNLUFLDZOAXIC-UHFFFAOYSA-N
CSID:15827, http://www.chemspider.com/Chemical-Structure.15827.html (accessed 11:27, 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) = 8.33 Log Kow (Exper. database match) = 8.50 Exper. Ref: LEI,YD ET AL. (2000) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.95 (Adapted Stein & Brown method) Melting Pt (deg C): 164.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.59E-008 (Modified Grain method) MP (exp database): 197.5 deg C BP (exp database): 440-442 @ 7.4 mm Hg deg C VP (exp database): 1.10E-08 mm Hg at 25 deg C Subcooled liquid VP: 5.59E-007 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001599 log Kow used: 8.50 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 8e-005 mg/L (22 deg C) Exper. Ref: OPPERHUIZEN,A (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00035755 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: OPPERHUIZEN,A (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.78E-005 atm-m3/mole Group Method: 1.02E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.854E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.50 (exp database) Log Kaw used: -2.709 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.209 Log Koa (experimental database): 11.050 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9040 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6542 (recalcitrant) Biowin4 (Primary Survey Model) : 1.9425 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4396 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3821 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): 7.45E-005 Pa (5.59E-007 mm Hg) Log Koa (Exp database): 11.050 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0403 Octanol/air (Koa) model: 0.0275 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.592 Mackay model : 0.763 Octanol/air (Koa) model: 0.688 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0384 E-12 cm3/molecule-sec Half-Life = 278.258 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.678 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.069E+005 Log Koc: 5.029 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 = 3.375 (BCF = 2371) log Kow used: 8.50 (expkow database) Volatilization from Water: Henry LC: 0.000102 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 13.58 hours Half-Life from Model Lake : 316.7 hours (13.19 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.134 6.68e+003 1000 Water 0.665 4.32e+003 1000 Soil 46.3 8.64e+003 1000 Sediment 52.9 3.89e+004 0 Persistence Time: 1.27e+004 hr
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