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1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene
Cc1ccc(c(c1)CCl)OCCCl
InChI=1S/C10H12Cl2O/c1-8-2-3-10(13-5-4-11)9(6-8)7-12/h2-3,6H,4-5,7H2,1H3
WOPWBSQWQNEPHL-UHFFFAOYSA-N
CSID:194792, http://www.chemspider.com/Chemical-Structure.194792.html (accessed 16:51, May 17, 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) = 4.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 302.26 (Adapted Stein & Brown method) Melting Pt (deg C): 62.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000767 (Modified Grain method) Subcooled liquid VP: 0.00173 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): 9.603 log Kow used: 4.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.5048 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.39E-005 atm-m3/mole Group Method: 9.96E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.303E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.17 (KowWin est) Log Kaw used: -2.583 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.753 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6070 Biowin2 (Non-Linear Model) : 0.2723 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2356 (months ) Biowin4 (Primary Survey Model) : 3.3390 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3669 Biowin6 (MITI Non-Linear Model): 0.0868 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3714 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): 0.231 Pa (0.00173 mm Hg) Log Koa (Koawin est ): 6.753 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.3E-005 Octanol/air (Koa) model: 1.39E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00047 Mackay model : 0.00104 Octanol/air (Koa) model: 0.000111 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.8985 E-12 cm3/molecule-sec Half-Life = 0.512 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.142 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000754 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2073 Log Koc: 3.317 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 = 2.509 (BCF = 322.9) log Kow used: 4.17 (estimated) Volatilization from Water: Henry LC: 9.96E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 88.52 hours (3.688 days) Half-Life from Model Lake : 1090 hours (45.41 days) Removal In Wastewater Treatment: Total removal: 38.64 percent Total biodegradation: 0.38 percent Total sludge adsorption: 37.92 percent Total to Air: 0.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.313 12.3 1000 Water 12.4 1.44e+003 1000 Soil 81.6 2.88e+003 1000 Sediment 5.64 1.3e+004 0 Persistence Time: 1.69e+003 hr
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