Try beta.chemspider
1,2,3,4,5,5,6,7,9,10-Decachloropentacyclo[5.3.0.0~2,6~.0~3,9~.0~4,8~]decane
C12C3(C(C4(C1(C5(C4(C3(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C10H2Cl10/c11-2-3(12)1-4(13)6(2,15)8(17)7(3,16)5(1,14)10(19,20)9(4,8)18/h1-2H
VQYXRLFNKBMIEV-UHFFFAOYSA-N
CSID:142856, http://www.chemspider.com/Chemical-Structure.142856.html (accessed 09:35, May 22, 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) = 5.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.52 (Adapted Stein & Brown method) Melting Pt (deg C): 139.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E-005 (Modified Grain method) Subcooled liquid VP: 0.000178 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): 0.009741 log Kow used: 5.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00080404 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.62E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.919E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.87 (KowWin est) Log Kaw used: -4.724 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.594 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.0647 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): -1.2829 (recalcitrant) Biowin4 (Primary Survey Model) : 0.9264 (recalcitrant) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1292 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9054 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): 0.0237 Pa (0.000178 mm Hg) Log Koa (Koawin est ): 10.594 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000126 Octanol/air (Koa) model: 0.00964 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00454 Mackay model : 0.01 Octanol/air (Koa) model: 0.435 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.3993 E-12 cm3/molecule-sec Half-Life = 26.787 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00728 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.936E+005 Log Koc: 5.287 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.575E-011 L/mol-sec Kb Half-Life at pH 8: 3.340E+008 years Kb Half-Life at pH 7: 3.340E+009 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.822 (BCF = 6641) log Kow used: 5.87 (estimated) Volatilization from Water: Henry LC: 4.62E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2769 hours (115.4 days) Half-Life from Model Lake : 3.039E+004 hours (1266 days) Removal In Wastewater Treatment: Total removal: 91.51 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.75 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 0.193 643 1000 Water 1.65 4.32e+003 1000 Soil 54.6 8.64e+003 1000 Sediment 43.5 3.89e+004 0 Persistence Time: 9.91e+003 hr
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