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1,5-Dichloro-3-cyclohexyl-2-methoxybenzene
COc1c(cc(cc1Cl)Cl)C2CCCCC2
InChI=1S/C13H16Cl2O/c1-16-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
VJGVCYNNOIAPRV-UHFFFAOYSA-N
CSID:218863, http://www.chemspider.com/Chemical-Structure.218863.html (accessed 00:04, Jul 7, 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) = 6.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.55 (Adapted Stein & Brown method) Melting Pt (deg C): 87.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000162 (Modified Grain method) Subcooled liquid VP: 0.000651 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): 0.111 log Kow used: 6.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.35454 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.51E-004 atm-m3/mole Group Method: 2.34E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.977E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.18 (KowWin est) Log Kaw used: -1.843 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.023 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4459 Biowin2 (Non-Linear Model) : 0.1327 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0803 (months ) Biowin4 (Primary Survey Model) : 3.1517 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2544 Biowin6 (MITI Non-Linear Model): 0.0857 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7423 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): 0.0868 Pa (0.000651 mm Hg) Log Koa (Koawin est ): 8.023 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46E-005 Octanol/air (Koa) model: 2.59E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00125 Mackay model : 0.00276 Octanol/air (Koa) model: 0.00207 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.8100 E-12 cm3/molecule-sec Half-Life = 0.835 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.020 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.002 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.216E+004 Log Koc: 4.085 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 = 4.058 (BCF = 1.144e+004) log Kow used: 6.18 (estimated) Volatilization from Water: Henry LC: 0.00234 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.046 hours Half-Life from Model Lake : 157.3 hours (6.554 days) Removal In Wastewater Treatment: Total removal: 92.99 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.07 percent Total to Air: 1.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.281 20 1000 Water 2.26 1.44e+003 1000 Soil 41.4 2.88e+003 1000 Sediment 56 1.3e+004 0 Persistence Time: 3.34e+003 hr
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