Try beta.chemspider
1,1,2,3,4,5-Hexachlorocyclohexane
C1C(C(C(C(C1(Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C6H6Cl6/c7-2-1-6(11,12)5(10)4(9)3(2)8/h2-5H,1H2
VHORPFPSBBNVSE-UHFFFAOYSA-N
CSID:31094, http://www.chemspider.com/Chemical-Structure.31094.html (accessed 04:25, Apr 26, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.44 (Adapted Stein & Brown method) Melting Pt (deg C): 65.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00187 (Modified Grain method) Subcooled liquid VP: 0.00444 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): 2.957 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.1124 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.56E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.420E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -1.980 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.280 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2432 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3053 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6710 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0094 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4517 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): 0.592 Pa (0.00444 mm Hg) Log Koa (Koawin est ): 6.280 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.07E-006 Octanol/air (Koa) model: 4.68E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000183 Mackay model : 0.000405 Octanol/air (Koa) model: 3.74E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6679 E-12 cm3/molecule-sec Half-Life = 16.014 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000294 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2975 Log Koc: 3.473 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.174E-012 L/mol-sec Kb Half-Life at pH 8: 3.558E+009 years Kb Half-Life at pH 7: 3.558E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.610 (BCF = 407.7) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 0.000256 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.64 hours Half-Life from Model Lake : 204.5 hours (8.522 days) Removal In Wastewater Treatment: Total removal: 49.55 percent Total biodegradation: 0.41 percent Total sludge adsorption: 43.31 percent Total to Air: 5.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.06 384 1000 Water 3.42 4.32e+003 1000 Soil 92.3 8.64e+003 1000 Sediment 3.18 3.89e+004 0 Persistence Time: 4.16e+003 hr
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