Try beta.chemspider
4,4'-Dichloro-3,3'-dimethoxybiphenyl
COc1cc(ccc1Cl)c2ccc(c(c2)OC)Cl
InChI=1S/C14H12Cl2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3
GHTWWNRAWZNEDQ-UHFFFAOYSA-N
CSID:700509, http://www.chemspider.com/Chemical-Structure.700509.html (accessed 05:20, Jul 9, 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) = 5.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 369.43 (Adapted Stein & Brown method) Melting Pt (deg C): 128.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.19E-006 (Modified Grain method) Subcooled liquid VP: 4.54E-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): 0.5485 log Kow used: 5.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16754 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.95E-007 atm-m3/mole Group Method: 2.03E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.846E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.21 (KowWin est) Log Kaw used: -4.488 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.698 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5117 Biowin2 (Non-Linear Model) : 0.3667 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0440 (months ) Biowin4 (Primary Survey Model) : 3.2628 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3227 Biowin6 (MITI Non-Linear Model): 0.0640 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3442 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): 0.00605 Pa (4.54E-005 mm Hg) Log Koa (Koawin est ): 9.698 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000496 Octanol/air (Koa) model: 0.00122 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0176 Mackay model : 0.0381 Octanol/air (Koa) model: 0.0892 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.7319 E-12 cm3/molecule-sec Half-Life = 0.603 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.238 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0279 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8657 Log Koc: 3.937 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 = 3.310 (BCF = 2042) log Kow used: 5.21 (estimated) Volatilization from Water: Henry LC: 0.000203 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.57 hours Half-Life from Model Lake : 212.8 hours (8.866 days) Removal In Wastewater Treatment: Total removal: 83.70 percent Total biodegradation: 0.70 percent Total sludge adsorption: 81.90 percent Total to Air: 1.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.371 14.5 1000 Water 5.64 1.44e+003 1000 Soil 67 2.88e+003 1000 Sediment 27 1.3e+004 0 Persistence Time: 2.09e+003 hr
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