Try beta.chemspider
1,9,10,11,11,12-Hexachlorohexacyclo[5.4.1.0~2,6~.0~3,10~.0~4,8~.0~9,12~]dodecan-7-ol
C1C2C3C4C1C5(C2C6(C3(C(C4(C56Cl)Cl)(Cl)Cl)Cl)Cl)O
InChI=1S/C12H8Cl6O/c13-8-4-2-1-3-5(4)9(14,12(8,17)18)11(16)7(3,19)6(2)10(8,11)15/h2-6,19H,1H2
FWIOOTDZGJSQMX-UHFFFAOYSA-N
CSID:367013, http://www.chemspider.com/Chemical-Structure.367013.html (accessed 03:02, Apr 24, 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 337.04 (Adapted Stein & Brown method) Melting Pt (deg C): 136.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.23E-007 (Modified Grain method) Subcooled liquid VP: 1.22E-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): 5.817 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.03891 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.53E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.953E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -7.458 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.378 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2057 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.0456 (recalcitrant) Biowin4 (Primary Survey Model) : 1.7739 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1028 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0340 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): 0.00163 Pa (1.22E-005 mm Hg) Log Koa (Koawin est ): 11.378 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00184 Octanol/air (Koa) model: 0.0586 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0625 Mackay model : 0.129 Octanol/air (Koa) model: 0.824 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.1812 E-12 cm3/molecule-sec Half-Life = 0.811 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.737 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0955 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4713 Log Koc: 3.673 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 = 2.320 (BCF = 208.8) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 8.53E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.34E+006 hours (5.582E+004 days) Half-Life from Model Lake : 1.461E+007 hours (6.089E+005 days) Removal In Wastewater Treatment: Total removal: 26.55 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.26 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 0.00154 19.5 1000 Water 4.16 4.32e+003 1000 Soil 94.4 8.64e+003 1000 Sediment 1.44 3.89e+004 0 Persistence Time: 7.99e+003 hr
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