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1-Phenoxy-2-(trichloromethoxy)benzene
c1ccc(cc1)Oc2ccccc2OC(Cl)(Cl)Cl
InChI=1S/C13H9Cl3O2/c14-13(15,16)18-12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h1-9H
ZHNTXHMMXAUDQM-UHFFFAOYSA-N
CSID:159901, http://www.chemspider.com/Chemical-Structure.159901.html (accessed 15:28, May 13, 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) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.06 (Adapted Stein & Brown method) Melting Pt (deg C): 115.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-005 (Modified Grain method) Subcooled liquid VP: 0.000132 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): 1.26 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.49163 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.05E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.326E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: -4.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.554 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4768 Biowin2 (Non-Linear Model) : 0.0921 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7024 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1136 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3443 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1732 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): 0.0176 Pa (0.000132 mm Hg) Log Koa (Koawin est ): 9.554 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00017 Octanol/air (Koa) model: 0.000879 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00612 Mackay model : 0.0135 Octanol/air (Koa) model: 0.0657 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.4244 E-12 cm3/molecule-sec Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.857 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00979 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7596 Log Koc: 3.881 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 = 2.878 (BCF = 754.4) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 3.05E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3346 hours (139.4 days) Half-Life from Model Lake : 3.665E+004 hours (1527 days) Removal In Wastewater Treatment: Total removal: 63.63 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.04 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.069 9.72 1000 Water 5.11 4.32e+003 1000 Soil 83.7 8.64e+003 1000 Sediment 11.1 3.89e+004 0 Persistence Time: 5.35e+003 hr
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